COMPOUND: C08395
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Entry
C08395 Compound
Name
Aethusin;
2,8,10-Tridecatriene-4,6-diyne
Formula
C13H14
Exact mass
170.1096
Mol weight
170.2503
Structure
Mol file
KCF file
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Other DBs
CAS:
463-34-3
PubChem:
10591
ChEBI:
2501
KNApSAcK:
C00001272
NIKKAJI:
J2.368.101C
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KCF data
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ATOM 13
1 C3b C 28.0000 -18.4916
2 C2b C 26.7867 -17.7974
3 C3b C 29.2133 -19.1976
4 C2b C 25.5674 -18.4916
5 C3b C 30.4326 -19.8976
6 C2b C 24.3539 -17.7974
7 C3b C 31.6461 -20.6034
8 C2b C 23.1463 -18.4916
9 C2b C 32.8537 -21.2976
10 C1b C 21.9270 -17.7974
11 C2b C 34.0730 -20.6034
12 C1a C 20.7137 -18.4916
13 C1a C 35.2863 -21.2976
BOND 12
1 1 2 1
2 1 3 3
3 2 4 2
4 3 5 1
5 4 6 1
6 5 7 3
7 6 8 2
8 7 9 1
9 8 10 1
10 9 11 2
11 10 12 1
12 11 13 1
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