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Benzenebutanoic acid, 3-nitro-.gamma.-oxo-
SpectraBase Compound ID FpxUJ1ilBtR
InChI InChI=1S/C10H9NO5/c12-9(4-5-10(13)14)7-2-1-3-8(6-7)11(15)16/h1-3,6H,4-5H2,(H,13,14)
InChIKey VNDVLOPITGDGOG-UHFFFAOYSA-N
Mol Weight 223.18 g/mol
Molecular Formula C10H9NO5
Exact Mass 223.048072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gb7T2QyvE7a
Name Benzenebutanoic acid, 3-nitro-.gamma.-oxo-
CAS Registry Number 6328-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO5
InChI InChI=1S/C10H9NO5/c12-9(4-5-10(13)14)7-2-1-3-8(6-7)11(15)16/h1-3,6H,4-5H2,(H,13,14)
InChIKey VNDVLOPITGDGOG-UHFFFAOYSA-N
Molecular Weight 223.184 g/mol
SMILES OC(CCC(=O)c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-0udi-3900000000-0f872c5b0d42b56488a7
Source of Spectrum OS-5-422-0
Synonyms Propionic acid, 3-(m-nitrobenzoyl)- 4-(3-Nitrophenyl)-4-oxobutanoic acid .beta.-(3-Nitrobenzoyl)propionic acid 3-(m-Nitrobenzoyl)propionic acid
Wiley ID 1223780