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Hexanoic acid, 2-cyano-, methyl ester
SpectraBase Compound ID Aj440cqnthD
InChI InChI=1S/C8H13NO2/c1-3-4-5-7(6-9)8(10)11-2/h7H,3-5H2,1-2H3
InChIKey HNIMUKWIOXPQIL-UHFFFAOYSA-N
Mol Weight 155.2 g/mol
Molecular Formula C8H13NO2
Exact Mass 155.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArdPIOoWQpd
Name Hexanoic acid, 2-cyano-, methyl ester
Alternate Name(s) 2-cyanohexanoic acid methyl ester Methyl 2-cyanohexanoate
CAS Registry Number 7309-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO2
InChI InChI=1S/C8H13NO2/c1-3-4-5-7(6-9)8(10)11-2/h7H,3-5H2,1-2H3
InChIKey HNIMUKWIOXPQIL-UHFFFAOYSA-N
Molecular Weight 155.197 g/mol
SMILES C(C(CCCC)C#N)(OC)=O
SPLASH splash10-014i-9200000000-707257e399c78dfcbbad
Source of Spectrum T-66-472-0
Wiley ID 1152701