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5H-Benzocyclohepten-5-one, 1,4,4a,6,7,9a-hexahydro-4-methoxy-4a,7,7-trimethyl-, (4.alpha.,4a.beta.,9a.beta.)-(.+-.)-
SpectraBase Compound ID DUrVifcPtS4
InChI InChI=1S/C15H22O2/c1-14(2)9-8-11-6-5-7-13(17-4)15(11,3)12(16)10-14/h5,7-9,11,13H,6,10H2,1-4H3/t11-,13-,15-/m0/s1
InChIKey XCDRQHNXABURSN-WHOFXGATSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeUgzl0owzz
Name 5H-Benzocyclohepten-5-one, 1,4,4a,6,7,9a-hexahydro-4-methoxy-4a,7,7-trimethyl-, (4.alpha.,4a.beta.,9a.beta.)-(.+-.)-
CAS Registry Number 124562-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-14(2)9-8-11-6-5-7-13(17-4)15(11,3)12(16)10-14/h5,7-9,11,13H,6,10H2,1-4H3/t11-,13-,15-/m0/s1
InChIKey XCDRQHNXABURSN-WHOFXGATSA-N
Molecular Weight 234.339 g/mol
SMILES [C@@]12(C(CC(C)(C)C=C[C@@]2(CC=C[C@@]1(OC)[H])[H])=O)C
SPLASH splash10-001i-9000000000-726621c29bb0f5aee40b
Source of Spectrum J-55-1368-7
Synonyms (4S,4aR,9aS)-4-methoxy-4a,7,7-trimethyl-1,4,4a,6,7,9a-hexahydro-5H-benzo[a]cyclohepten-5-one 11.alpha.-methoxy-1.beta.,4,4-trimethylbicyclo[5.4.0]undeca-5,9-dien-2-one
Wiley ID 1236426