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4,8-Methanoazulene-4(1H)-carboxylic acid, octahydro-, (3a.alpha.,4.alpha.,8.beta.,8a.alpha.)-
SpectraBase Compound ID Cpj87wrjAPW
InChI InChI=1S/C12H18O2/c13-11(14)12-6-2-3-8(7-12)9-4-1-5-10(9)12/h8-10H,1-7H2,(H,13,14)/t8-,9+,10+,12-/m0/s1
InChIKey JYSGMOQERQSPNI-XNDJQWLSSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uwZjy5zNzd
Name 4,8-Methanoazulene-4(1H)-carboxylic acid, octahydro-, (3a.alpha.,4.alpha.,8.beta.,8a.alpha.)-
CAS Registry Number 125877-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c13-11(14)12-6-2-3-8(7-12)9-4-1-5-10(9)12/h8-10H,1-7H2,(H,13,14)/t8-,9+,10+,12-/m0/s1
InChIKey JYSGMOQERQSPNI-XNDJQWLSSA-N
Molecular Weight 194.274 g/mol
SMILES OC([C@]12[C@]3([C@@](CCC3)([H])[C@@](C1)([H])CCC2)[H])=O
SPLASH splash10-00or-9500000000-180b60a5074fdb9f5421
Source of Spectrum J-55-2750-0
Synonyms (1R,2R,6R,7R)-tricyclo[5.3.1.0(2,6)]undecane-1-carboxylic acid (3aR*,4S*,8S*,8aR*)-1,2,3,3a,4,5,6,7,8,8a-decahydro-4,8-methanoazulene-4-carboxylic acid
Wiley ID 1191156