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Benzo[a]heptalene, 5,6,7,7a,8,9,10,11,12,12a-decahydro-, cis-(.+-.)-
SpectraBase Compound ID Hs7oLkEi6ii
InChI InChI=1S/C16H22/c1-2-7-13-9-6-10-14-8-4-5-12-16(14)15(13)11-3-1/h4-5,8,12-13,15H,1-3,6-7,9-11H2/t13-,15-/m1/s1
InChIKey SXAXRHMXTCUUBT-UKRRQHHQSA-N
Mol Weight 214.35 g/mol
Molecular Formula C16H22
Exact Mass 214.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KH5pHLBJiLF
Name Benzo[a]heptalene, 5,6,7,7a,8,9,10,11,12,12a-decahydro-, cis-(.+-.)-
CAS Registry Number 129748-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22
InChI InChI=1S/C16H22/c1-2-7-13-9-6-10-14-8-4-5-12-16(14)15(13)11-3-1/h4-5,8,12-13,15H,1-3,6-7,9-11H2/t13-,15-/m1/s1
InChIKey SXAXRHMXTCUUBT-UKRRQHHQSA-N
Molecular Weight 214.352 g/mol
SMILES c12[C@]3([C@@](CCCc2cccc1)(CCCCC3)[H])[H]
SPLASH splash10-02dl-1930000000-174465c9044e2e68d21e
Source of Spectrum F-46-2279-20
Synonyms (7aR,12aR)-5,6,7,7a,8,9,10,11,12,12a-decahydrobenzo[a]heptalene cis-5,6,7,7a,8,9,10,11,12,12a-decahydrobenzo[a]heptalene
Wiley ID 1214242