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(Ra,S)-()-2-Methylhepta-3,4-dienoic Acid
SpectraBase Compound ID CLlUxH4euHW
InChI InChI=1S/C8H12O2/c1-3-4-5-6-7(2)8(9)10/h4,6-7H,3H2,1-2H3,(H,9,10)/t5?,7-/m0/s1
InChIKey NSQBTIVYVYZGSF-MSZQBOFLSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmjEWA8iEMe
Name (Ra,S)-()-2-Methylhepta-3,4-dienoic Acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-3-4-5-6-7(2)8(9)10/h4,6-7H,3H2,1-2H3,(H,9,10)/t5?,7-/m0/s1
InChIKey NSQBTIVYVYZGSF-MSZQBOFLSA-N
Molecular Weight 140.182 g/mol
SMILES OC(=O)[C@](C=C=CCC)(C)[H]
SPLASH splash10-004i-0900000000-a9c2a224e1960b659ff2
Source of Spectrum U1-2010-690-12
Wiley ID 1663345