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5-CYANOVALERIC ACID, METHYL ESTER
SpectraBase Compound ID 8stzujSZAQu
InChI InChI=1S/C7H11NO2/c1-10-7(9)5-3-2-4-6-8/h2-5H2,1H3
InChIKey FLUGZEGZYQCCTQ-UHFFFAOYSA-N
Mol Weight 141.17 g/mol
Molecular Formula C7H11NO2
Exact Mass 141.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JG7wlHmMWU9
Name Pentanoic acid, 5-cyano-, methyl ester
CAS Registry Number 3009-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO2
InChI InChI=1S/C7H11NO2/c1-10-7(9)5-3-2-4-6-8/h2-5H2,1H3
InChIKey FLUGZEGZYQCCTQ-UHFFFAOYSA-N
Molecular Weight 141.170 g/mol
SMILES C(=O)(CCCCC#N)OC
SPLASH splash10-0759-9200000000-26ddbe1132e1d404d897
Source of Spectrum NP-17-196-0
Synonyms 5-cyanopentanoic acid methyl ester 5-cyanovaleric acid methyl ester Methyl 5-cyanopentanoate Methyl 5-cyanovalerate Valeric acid, 5-cyano-, methyl ester
Wiley ID 1097938