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3,5-Bis(benzyloxy)-4-methyl-2-nitrobenzoic acid

View entire compound with spectra: 1 MS (GC)

3,5-Bis(benzyloxy)-4-methyl-2-nitrobenzoic acid
SpectraBase Compound ID FEWe7Bipydk
InChI InChI=1S/C22H19NO6/c1-15-19(28-13-16-8-4-2-5-9-16)12-18(22(24)25)20(23(26)27)21(15)29-14-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,24,25)
InChIKey UUBVBXRPMWCEJC-UHFFFAOYSA-N
Mol Weight 393.4 g/mol
Molecular Formula C22H19NO6
Exact Mass 393.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fhx0cvqn2P
Name 3,5-Bis(benzyloxy)-4-methyl-2-nitrobenzoic acid
CAS Registry Number 76447-18-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO6
InChI InChI=1S/C22H19NO6/c1-15-19(28-13-16-8-4-2-5-9-16)12-18(22(24)25)20(23(26)27)21(15)29-14-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,24,25)
InChIKey UUBVBXRPMWCEJC-UHFFFAOYSA-N
Molecular Weight 393.395 g/mol
SMILES OC(c1c(c(c(c(OCc2ccccc2)c1)C)OCc1ccccc1)N(=O)=O)=O
SPLASH splash10-066r-0079000000-87550c68d6f356449345
Source of Spectrum J-46-1370-0
Wiley ID 1366274