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(2S,5R)-2-isopropenyl-5-methyl-cyclohexanone
SpectraBase Compound ID LdQrX9otIF0
InChI InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
InChIKey RMIANEGNSBUGDJ-BDAKNGLRSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOHPm3n8hxK
Name (2S,5R)-2-isopropenyl-5-methyl-cyclohexanone
Alternate Name(s) (2S,5R)-5-methyl-2-(1-methylethenyl)-1-cyclohexanone (2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-one
CAS Registry Number 29606-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
InChIKey RMIANEGNSBUGDJ-BDAKNGLRSA-N
Molecular Weight 152.237 g/mol
SMILES C1([C@](C(=C)C)(CC[C@](C1)(C)[H])[H])=O
SPLASH splash10-05v0-9500000000-1319e4d6601f0511ae6c
Source of Spectrum F-43-1106-3
Wiley ID 1149847