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3-Hexenoic acid, methyl ester
SpectraBase Compound ID Aw7lakni9Dr
InChI InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+
InChIKey XEAIHUDTEINXFG-SNAWJCMRSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALlx2vzyjta
Name 3-HEXENOIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Exact Mass 128.083729624 u
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+
InChIKey XEAIHUDTEINXFG-SNAWJCMRSA-N
Molecular Weight 128.171 g/mol
Nominal Mass 128 u
Number of Peaks 68
SMILES C(\C=C\CC)C(OC)=O
SPLASH splash10-01bc-9000000000-55e6a9381c6a1c490e86
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_000803