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Benzoic acid, 4-chloro-3-nitro-, pentyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 4-chloro-3-nitro-, pentyl ester
SpectraBase Compound ID 5Rr8dnQ5DMp
InChI InChI=1S/C12H14ClNO4/c1-2-3-4-7-18-12(15)9-5-6-10(13)11(8-9)14(16)17/h5-6,8H,2-4,7H2,1H3
InChIKey MAWYAGAUXCJZAM-UHFFFAOYSA-N
Mol Weight 271.7 g/mol
Molecular Formula C12H14ClNO4
Exact Mass 271.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHLEO9zZ0AT
Name Benzoic acid, 4-chloro-3-nitro-, pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClNO4
InChI InChI=1S/C12H14ClNO4/c1-2-3-4-7-18-12(15)9-5-6-10(13)11(8-9)14(16)17/h5-6,8H,2-4,7H2,1H3
InChIKey MAWYAGAUXCJZAM-UHFFFAOYSA-N
Molecular Weight 271.700 g/mol
SMILES CCCCCOC(=O)c1ccc(Cl)c(c1)[N+]([O-])=O
SPLASH splash10-00ei-9720000000-338ee21a1db315257709
Source of Spectrum JX-2015-2-584
Synonyms Pentyl 4-chloro-3-nitrobenzoate 4-Chloro-3-nitrobenzoic acid pentyl ester Pentyl 4-chloro-3-nitro-benzoate Pentyl 4-chloranyl-3-nitro-benzoate
Wiley ID 1722295