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1H-Cyclopentacyclooctene-5-carboxaldehyde, 2,3,3a,4,5,6,9,9a-octahydro-9a-hydroxy-3,5,8-trimethyl-, (3.alpha.,3a.alpha.,5.beta.,9a.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-Cyclopentacyclooctene-5-carboxaldehyde, 2,3,3a,4,5,6,9,9a-octahydro-9a-hydroxy-3,5,8-trimethyl-, (3.alpha.,3a.alpha.,5.beta.,9a.beta.)-(.+-.)-
SpectraBase Compound ID A4R2wy26a8C
InChI InChI=1S/C15H24O2/c1-11-4-6-14(3,10-16)9-13-12(2)5-7-15(13,17)8-11/h4,10,12-13,17H,5-9H2,1-3H3/b11-4-/t12-,13+,14-,15+/m1/s1
InChIKey TYWHKRPTFDFMIB-CQGURTEVSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnbS6zTp8Jo
Name 1H-Cyclopentacyclooctene-5-carboxaldehyde, 2,3,3a,4,5,6,9,9a-octahydro-9a-hydroxy-3,5,8-trimethyl-, (3.alpha.,3a.alpha.,5.beta.,9a.beta.)-(.+-.)-
Alternate Name(s) (3R,3aS,5R,9aS)-9a-hydroxy-3,5,8-trimethyl-2,3,3a,4,5,6,9,9a-octahydro-1H-cyclopenta[a]cyclooctene-5-carbaldehyde 3,6,9-Trimethyl-6-formyl-1-hydroxybicyclo[6.3.0]undec-3-ene
CAS Registry Number 129918-64-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-11-4-6-14(3,10-16)9-13-12(2)5-7-15(13,17)8-11/h4,10,12-13,17H,5-9H2,1-3H3/b11-4-/t12-,13+,14-,15+/m1/s1
InChIKey TYWHKRPTFDFMIB-CQGURTEVSA-N
Molecular Weight 236.355 g/mol
SMILES O[C@@]12[C@@](C[C@@](C=O)(C)C\C=C/(C2)C)([C@](C)(CC1)[H])[H]
SPLASH splash10-014i-0090000000-4a21f55e7745961ec4be
Source of Spectrum C-112-8496-32
Wiley ID 1238774