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2-Cyclohexen-1-one, 3-(3,3-dimethyl-1-butenyl-2-d)-, (E)-
SpectraBase Compound ID mWs6wRpyGh
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+/i8D
InChIKey ZCOYMBRWIONSSE-QRJRHGAZSA-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 BiW4C3Di2kK
Name 2-Cyclohexen-1-one, 3-(3,3-dimethyl-1-butenyl-2-d)-, (E)-
Alternate Name(s) 2-Cyclohexen-1-one, 3-(3,3-dimethyl-1-butenyl-2-d)-, (Z)- 3-(2-Deuterio-3,3-dimethylbutenyl)-2-cyclohexenone (E)-2d-7e 3-(2-Deuterio-3,3-dimethylbutenyl)-2-cyclohexenone (Z)-2d-7e
CAS Registry Number 124267-34-1
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+/i8D
InChIKey ZCOYMBRWIONSSE-QRJRHGAZSA-N
Molecular Weight 179.281 g/mol
SMILES C1(\C=C\(C(C)(C)C)[D])=CC(=O)CCC1
SPLASH splash10-0a4i-2900000000-54550cab001ee6434db9
Source of Spectrum J-55-972-2d-7e
Wiley ID 1174742