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Benzoic acid, (2-methyl-5-nitrophenyl)carbamic acid, 2-phenoxyethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Benzoic acid, (2-methyl-5-nitrophenyl)carbamic acid, 2-phenoxyethyl ester
SpectraBase Compound ID CFNONfA9ZOJ
InChI InChI=1S/C16H16N2O5/c1-12-7-8-13(18(20)21)11-15(12)17-16(19)23-10-9-22-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKey ZPIHQQGGHSGURF-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H16N2O5
Exact Mass 316.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LV1DidGPmP3
Name Benzoic acid, (2-methyl-5-nitrophenyl)carbamic acid, 2-phenoxyethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 316.105921618 u
Formula C16H16N2O5
InChI InChI=1S/C16H16N2O5/c1-12-7-8-13(18(20)21)11-15(12)17-16(19)23-10-9-22-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKey ZPIHQQGGHSGURF-UHFFFAOYSA-N
Molecular Weight 316.313 g/mol
SMILES C1=CC=C(C=C1)OCCOC(NC1=CC(N(=O)=O)=CC=C1C)=O