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4-Methyl-2-oxo-2H-chromen-6-yl 4-nitrobenzoate
SpectraBase Compound ID DE7fbmSdtbp
InChI InChI=1S/C17H11NO6/c1-10-8-16(19)24-15-7-6-13(9-14(10)15)23-17(20)11-2-4-12(5-3-11)18(21)22/h2-9H,1H3
InChIKey DPBCGKNXCLQEGR-UHFFFAOYSA-N
Mol Weight 325.28 g/mol
Molecular Formula C17H11NO6
Exact Mass 325.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsW1GmDHUNO
Name 4-Methyl-2-oxo-2H-chromen-6-yl 4-nitrobenzoate
CAS Registry Number 310457-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11NO6
InChI InChI=1S/C17H11NO6/c1-10-8-16(19)24-15-7-6-13(9-14(10)15)23-17(20)11-2-4-12(5-3-11)18(21)22/h2-9H,1H3
InChIKey DPBCGKNXCLQEGR-UHFFFAOYSA-N
Molecular Weight 325.276 g/mol
SMILES CC=1c2cc(OC(c3ccc(N(=O)=O)cc3)=O)ccc2OC(=O)C1
SPLASH splash10-0udi-7900000000-14f0e0482fd996e591ad
Source of Spectrum AD-0-2532-0
Synonyms (4-methyl-2-oxidanylidene-chromen-6-yl) 4-nitrobenzoate (4-methyl-2-oxo-chromen-6-yl) 4-nitrobenzoate 4-Methylcoumarin-6-yl 4-nitrobenzoate 4-Methylcoumarine-6-(4-nitrobenzyloxy) 4-Nitrobenzoic acid (2-keto-4-methyl-chromen-6-yl) ester 4-Nitrobenzoic acid (4-methyl-2-oxo-1-benzopyran-6-yl) ester Benzoic acid, 4-nitro-, 4-methylcoumarin-6-yl ester
Wiley ID 1422402