For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[(1R,3S)-1-Methyl-3-(1-methylethenyl)cyclopent-1-yl][2,3-13C2]prop-2-en-1-one
SpectraBase Compound ID 1GF5Af2qCIl
InChI InChI=1S/C12H18O/c1-5-11(13)12(4)7-6-10(8-12)9(2)3/h5,10H,1-2,6-8H2,3-4H3/t10-,12+/m0/s1/i1+1,5+1
InChIKey LEGRUCXBPSXDMQ-CFBHGVHKSA-N
Mol Weight 180.26 g/mol
Molecular Formula C1013C2H18O
Exact Mass 180.142475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3x6gNutjBcK
Name 1-[(1R,3S)-1-Methyl-3-(1-methylethenyl)cyclopent-1-yl][2,3-13C2]prop-2-en-1-one
Comments Original formula: C10[13C]2H18O
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-5-11(13)12(4)7-6-10(8-12)9(2)3/h5,10H,1-2,6-8H2,3-4H3/t10-,12+/m0/s1/i1+1,5+1
InChIKey LEGRUCXBPSXDMQ-CFBHGVHKSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 180.260 g/mol
SMILES [13CH](C([C@@]1(CC[C@](C(C)=C)(C1)[H])C)=O)=[13CH2]
SPLASH splash10-053r-9200000000-64cac15b494d59e31472
Source of Spectrum H-87-2019-[(13)C2]_24
Synonyms 1-((1R,3S)-1-methyl-3-(prop-1-en-2-yl)cyclopentyl)prop-2-en-1-one-2,3-13C2
Wiley ID 1785572