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2-methyl-3-[(1R,3S)-1-methyl-3-phenyl-butyl]cyclohex-2-en-1-one
SpectraBase Compound ID EEsGRuZ0g4j
InChI InChI=1S/C18H24O/c1-13(16-8-5-4-6-9-16)12-14(2)17-10-7-11-18(19)15(17)3/h4-6,8-9,13-14H,7,10-12H2,1-3H3/t13-,14+/m0/s1
InChIKey NXFWZZAYFPUQHR-UONOGXRCSA-N
Mol Weight 256.39 g/mol
Molecular Formula C18H24O
Exact Mass 256.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NIvfNkwisE
Name 2-methyl-3-[(1R,3S)-1-methyl-3-phenyl-butyl]cyclohex-2-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O
InChI InChI=1S/C18H24O/c1-13(16-8-5-4-6-9-16)12-14(2)17-10-7-11-18(19)15(17)3/h4-6,8-9,13-14H,7,10-12H2,1-3H3/t13-,14+/m0/s1
InChIKey NXFWZZAYFPUQHR-UONOGXRCSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.202002297
Molecular Weight 256.389 g/mol
Reported Formula C18H24O
SMILES c1([C@@](C)(C[C@](C2=C(C(CCC2)=O)C)(C)[H])[H])ccccc1
SPLASH splash10-0a4m-9300000000-b2b80e2995c2e9ce70bc
Sample Comments dr = 96:4
Source of Spectrum QE-76-SM18-syn-3c
Wiley ID 1843558