For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Acetoxy-5-methyl-2-nitro-terephthalic acid, 4-isopropyl ester 1-methyl ester
SpectraBase Compound ID KkmTA4RStfa
InChI InChI=1S/C15H17NO8/c1-7(2)23-15(19)11-8(3)6-10(14(18)22-5)12(16(20)21)13(11)24-9(4)17/h6-7H,1-5H3
InChIKey HWWDWLTUAOXIDF-UHFFFAOYSA-N
Mol Weight 339.3 g/mol
Molecular Formula C15H17NO8
Exact Mass 339.095417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B2gmADs5RdA
Name 3-Acetoxy-5-methyl-2-nitro-terephthalic acid, 4-isopropyl ester 1-methyl ester
CAS Registry Number 89586-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO8
InChI InChI=1S/C15H17NO8/c1-7(2)23-15(19)11-8(3)6-10(14(18)22-5)12(16(20)21)13(11)24-9(4)17/h6-7H,1-5H3
InChIKey HWWDWLTUAOXIDF-UHFFFAOYSA-N
Molecular Weight 339.300 g/mol
SMILES C(=O)(c1c(c(c(c(c1)C)C(=O)OC(C)C)OC(=O)C)N(=O)=O)OC
SPLASH splash10-000f-9350000000-25ee24257812ba155abd
Synonyms 1-O-methyl 4-O-propan-2-yl 3-acetyloxy-5-methyl-2-nitrobenzene-1,4-dicarboxylate 3-Acetoxy-5-methyl-2-nitro-benzene-1,4-dicarboxylic acid O4-isopropyl ester O1-methyl ester 3-Acetyloxy-5-methyl-2-nitrobenzene-1,4-dicarboxylic acid O1-methyl ester O4-propan-2-yl ester 4-Isopropyl 1-methyl 3-(acetyloxy)-5-methyl-2-nitroterephthalate O1-methyl O4-propan-2-yl 3-acetyloxy-5-methyl-2-nitro-benzene-1,4-dicarboxylate O4-isopropyl O1-methyl 3-acetoxy-5-methyl-2-nitro-benzene-1,4-dicarboxylate
Wiley ID 1484574