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(3-methylphenyl)methyl 4-nitrobenzoate
SpectraBase Compound ID 52VsuBtov0u
InChI InChI=1S/C15H13NO4/c1-11-3-2-4-12(9-11)10-20-15(17)13-5-7-14(8-6-13)16(18)19/h2-9H,10H2,1H3
InChIKey NKSJKDPWIBQVNS-UHFFFAOYSA-N
Mol Weight 271.27 g/mol
Molecular Formula C15H13NO4
Exact Mass 271.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mAH5Tvla4r
Name (3-methylphenyl)methyl 4-nitrobenzoate
Alternate Name(s) 4-Nitrobenzoic acid (3-methylbenzyl) ester 4-Nitrobenzoic acid (3-methylphenyl)methyl ester m-Tolylmethyl 4-nitrobenzoate
CAS Registry Number 53218-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO4
InChI InChI=1S/C15H13NO4/c1-11-3-2-4-12(9-11)10-20-15(17)13-5-7-14(8-6-13)16(18)19/h2-9H,10H2,1H3
InChIKey NKSJKDPWIBQVNS-UHFFFAOYSA-N
Molecular Weight 271.272 g/mol
SMILES c1(N(=O)=O)ccc(C(OCc2cc(C)ccc2)=O)cc1
SPLASH splash10-014i-0920000000-d15adcdd8026c1023232
Source of Spectrum W5-24227-0-0
Wiley ID 1275257