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2-(3-Nitrophenyl)-2-oxoethyl 4-methylbenzoate
SpectraBase Compound ID 5ajuJ40XPtJ
InChI InChI=1S/C16H13NO5/c1-11-5-7-12(8-6-11)16(19)22-10-15(18)13-3-2-4-14(9-13)17(20)21/h2-9H,10H2,1H3
InChIKey MBARQEWLGAGHFL-UHFFFAOYSA-N
Mol Weight 299.28 g/mol
Molecular Formula C16H13NO5
Exact Mass 299.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA3Gd8zqh8T
Name 2-(3-Nitrophenyl)-2-oxoethyl 4-methylbenzoate
CAS Registry Number 324067-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c1-11-5-7-12(8-6-11)16(19)22-10-15(18)13-3-2-4-14(9-13)17(20)21/h2-9H,10H2,1H3
InChIKey MBARQEWLGAGHFL-UHFFFAOYSA-N
Molecular Weight 299.282 g/mol
SMILES Cc1ccc(C(OCC(c2cc(N(=O)=O)ccc2)=O)=O)cc1
SPLASH splash10-014i-5900000000-52c6d0f8e9f9d71d9d11
Synonyms 4-Methylbenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester [2-(3-nitrophenyl)-2-oxoethyl] 4-methylbenzoate [2-(3-nitrophenyl)-2-oxo-ethyl] 4-methylbenzoate [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-methylbenzoate
Wiley ID 1460273