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2-Cyclohexen-1-one, 3-(3,3-dimethyl-1-butenyl-1-d)-, (Z)-
SpectraBase Compound ID 92O4gVRu1cS
InChI InChI=1S/C12H18O/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h7-9H,4-6H2,1-3H3/b8-7+/i7D
InChIKey ZCOYMBRWIONSSE-HZOGUMOVSA-N
Mol Weight 179.28 g/mol
Molecular Formula C12H17DO
Exact Mass 179.142042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXHMPOsloVX
Name 2-Cyclohexen-1-one, 3-(3,3-dimethyl-1-butenyl-1-d)-, (Z)-
Alternate Name(s) 2-Cyclohexen-1-one, 3-(3,3-dimethyl-1-butenyl-1-d)-, (E)- 3-(1-Deuterio-3,3-dimethylbutenyl)-2-cyclohexenone (E)-1d-7e 3-(1-Deuterio-3,3-dimethylbutenyl)-2-cyclohexenone (Z)-1d-7e
CAS Registry Number 124267-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17DO
InChI InChI=1S/C12H18O/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h7-9H,4-6H2,1-3H3/b8-7+/i7D
InChIKey ZCOYMBRWIONSSE-HZOGUMOVSA-N
Molecular Weight 179.281 g/mol
SMILES C1(\C(=C\C(C)(C)C)[D])=CC(=O)CCC1
SPLASH splash10-0a4i-3900000000-8e248871f42aa844ff5f
Source of Spectrum J-55-972-(Z)-1d-7e
Wiley ID 1174743