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2-Cyclopenten-1-one, 4,4,5-trimethyl-3-(3-oxo-1-butenyl)-, (E)-(.+-.)-
SpectraBase Compound ID DIdtKRTx7s8
InChI InChI=1S/C12H16O2/c1-8(13)5-6-10-7-11(14)9(2)12(10,3)4/h5-7,9H,1-4H3/b6-5+
InChIKey GBSOPTAFNRWLBM-AATRIKPKSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSMqJHwM8pA
Name 2-Cyclopenten-1-one, 4,4,5-trimethyl-3-(3-oxo-1-butenyl)-, (E)-(.+-.)-
Alternate Name(s) (E)-4,4,5-Trimethyl-3-(3-oxobut-1-enyl)cyclopent-2-en-1-one 4,4,5-trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclopenten-1-one
CAS Registry Number 125254-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8(13)5-6-10-7-11(14)9(2)12(10,3)4/h5-7,9H,1-4H3/b6-5+
InChIKey GBSOPTAFNRWLBM-AATRIKPKSA-N
Molecular Weight 192.258 g/mol
SMILES C=1(C(C(C)C(C1)=O)(C)C)\C=C\C(=O)C
SPLASH splash10-002g-7900000000-52a51ac8f98452926bbd
Source of Spectrum H-72-765-40
Wiley ID 1188704