COMPOUND: C08397
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Entry
C08397 Compound
Name
5-(3-Buten-1-ynyl)-2,2'-bithiophene;
5-(3-Buten-1-ynyl)-2,2'-bithienyl
Formula
C12H8S2
Exact mass
216.0067
Mol weight
216.3219
Structure
Mol file
KCF file
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CAS:
1134-61-8
PubChem:
10593
ChEBI:
2015
KNApSAcK:
C00001274
NIKKAJI:
J149.956D
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KCF data
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ATOM 14
1 C8x C 14.9678 -20.4352
2 C8x C 15.3881 -21.7706
3 C8x C 16.7881 -21.7835
4 C8y C 17.2330 -20.4561
5 S2x S 16.1080 -19.6228
6 C8y C 18.6330 -20.4561
7 S2x S 19.7427 -21.2764
8 C8y C 20.8688 -20.4800
9 C8x C 20.4593 -19.1628
10 C8x C 19.0801 -19.1452
11 C3b C 22.1956 -20.9298
12 C3b C 23.5479 -21.2922
13 C2b C 24.9002 -21.6545
14 C2a C 25.9124 -20.6425
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 4 6 1
7 6 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 6 10 2
12 8 11 1
13 11 12 3
14 12 13 1
15 13 14 2
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