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][3-2H]prop-2-en-1-one
SpectraBase Compound ID 2wKwLoCXngO
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/i1D2
InChIKey LEGRUCXBPSXDMQ-HIEBSQDGSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H162D2O
Exact Mass 180.148319 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 KGXNwEuF9Dl
Name 1-[(1R,3S)-1-Methyl-3-(1-methylethenyl)cyclopent-1-yl][3-2H]prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16D2O
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/i1D2
InChIKey LEGRUCXBPSXDMQ-HIEBSQDGSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 180.287 g/mol
SMILES C[C@]1(CC[C@](C(C)=C)(C1)[H])C(C=C([2D])[2D])=O
SPLASH splash10-053r-9200000000-d66c081ef7ccc49f55d6
Source of Spectrum H-87-2019-[3_(2)H]_24
Synonyms 1-((1R,3S)-1-methyl-3-(prop-1-en-2-yl)cyclopentyl)prop-2-en-1-one-3,3-d2
Wiley ID 1785585