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(E)-4-Hydroxymethyl-2-methyl-4-hexen-3-one
SpectraBase Compound ID DcNB6yWTOWB
InChI InChI=1S/C8H14O2/c1-4-7(5-9)8(10)6(2)3/h4,6,9H,5H2,1-3H3/b7-4+
InChIKey QIOIQGPBCQWYRZ-QPJJXVBHSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5d4DygJ4DJq
Name (E)-4-Hydroxymethyl-2-methyl-4-hexen-3-one
Alternate Name(s) (4E)-4-(hydroxymethyl)-2-methyl-4-hexen-3-one
CAS Registry Number 143447-25-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-4-7(5-9)8(10)6(2)3/h4,6,9H,5H2,1-3H3/b7-4+
InChIKey QIOIQGPBCQWYRZ-QPJJXVBHSA-N
Molecular Weight 142.198 g/mol
SMILES OC\C(C(=O)C(C)C)=C/C
SPLASH splash10-0002-9300000000-87846f0016010cb5ab02
Source of Spectrum K-126-300-5
Wiley ID 1141266