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5-nitro-1-naphthoic acid, ethyl ester
SpectraBase Compound ID 8pCx4wXvTG0
InChI InChI=1S/C13H11NO4/c1-2-18-13(15)11-7-3-6-10-9(11)5-4-8-12(10)14(16)17/h3-8H,2H2,1H3
InChIKey QPADTPIHSPAZLQ-UHFFFAOYSA-N
Mol Weight 245.23 g/mol
Molecular Formula C13H11NO4
Exact Mass 245.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hswSbQXriZ
Name Ethyl 5-nitro-1-naphthoate
Alternate Name(s) 1-Naphthalenecarboxylic acid, 5-nitro-, ethyl ester 5-Nitro-1-naphthalenecarboxylic acid ethyl ester 5-Nitronaphthalene-1-carboxylic acid ethyl ester Ethyl 5-nitronaphthalene-1-carboxylate
CAS Registry Number 91901-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO4
InChI InChI=1S/C13H11NO4/c1-2-18-13(15)11-7-3-6-10-9(11)5-4-8-12(10)14(16)17/h3-8H,2H2,1H3
InChIKey QPADTPIHSPAZLQ-UHFFFAOYSA-N
Molecular Weight 245.234 g/mol
SMILES CCOC(=O)c1c2c(c(N(=O)=O)ccc2)ccc1
SPLASH splash10-0ufr-1930000000-8223c41b02fc8d150e5f
Source of Spectrum W5-1989-15022-1
Wiley ID 1247910