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(4aS,5S)-4a-methyl-5-oxidanyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
SpectraBase Compound ID 8EiKwodKHES
InChI InChI=1S/C11H16O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7,10,13H,2-6H2,1H3/t10-,11-/m0/s1
InChIKey KLAHBFOZHSNBDV-QWRGUYRKSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eb7mDnidFim
Name (4aS,5S)-4a-methyl-5-oxidanyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CAS Registry Number 34996-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7,10,13H,2-6H2,1H3/t10-,11-/m0/s1
InChIKey KLAHBFOZHSNBDV-QWRGUYRKSA-N
Molecular Weight 180.247 g/mol
SMILES O[C@@]1([C@@]2(C(=CC(CC2)=O)CCC1)C)[H]
SPLASH splash10-00di-1900000000-62ca4de433334be58c5a
Source of Spectrum H-60-2264-0
Synonyms (4aS,5S)-5-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Wiley ID 1176487