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Heptanoic acid, 3-nitrophenyl ester

View entire compound with spectra: 1 MS (GC)

Heptanoic acid, 3-nitrophenyl ester
SpectraBase Compound ID K3kA9CbwO7D
InChI InChI=1S/C13H17NO4/c1-2-3-4-5-9-13(15)18-12-8-6-7-11(10-12)14(16)17/h6-8,10H,2-5,9H2,1H3
InChIKey AADGXNADXAEBPP-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3sEBJJ70bd
Name Heptanoic acid, 3-nitrophenyl ester
Alternate Name(s) 3-Nitrophenyl heptanoate enanthic acid (3-nitrophenyl) ester Heptanoic acid (3-nitrophenyl) ester
CAS Registry Number 56052-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-2-3-4-5-9-13(15)18-12-8-6-7-11(10-12)14(16)17/h6-8,10H,2-5,9H2,1H3
InChIKey AADGXNADXAEBPP-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES CCCCCCC(=O)Oc1cccc(c1)N(=O)=O
SPLASH splash10-03dl-9600000000-a857332701600ccdcbb8
Source of Spectrum SD-1981-0-0
Wiley ID 1254461