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3-Acetoxy-5-methyl-4-nitro-phthalic acid, 2-isopropyl ester 1-methyl ester
SpectraBase Compound ID KvQYGbWO8pK
InChI InChI=1S/C15H17NO8/c1-7(2)23-15(19)11-10(14(18)22-5)6-8(3)12(16(20)21)13(11)24-9(4)17/h6-7H,1-5H3
InChIKey WJTUYAHCZMCROV-UHFFFAOYSA-N
Mol Weight 339.3 g/mol
Molecular Formula C15H17NO8
Exact Mass 339.095417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cCnXRnso5U
Name 3-Acetoxy-5-methyl-4-nitro-phthalic acid, 2-isopropyl ester 1-methyl ester
Alternate Name(s) 1-O-methyl 2-O-propan-2-yl 3-acetyloxy-5-methyl-4-nitrobenzene-1,2-dicarboxylate 2-Isopropyl 1-methyl 3-(acetyloxy)-5-methyl-4-nitrophthalate 3-Acetoxy-5-methyl-4-nitro-benzene-1,2-dicarboxylic acid O2-isopropyl ester O1-methyl ester 3-Acetyloxy-5-methyl-4-nitrobenzene-1,2-dicarboxylic acid O1-methyl ester O2-propan-2-yl ester O1-methyl O2-propan-2-yl 3-acetyloxy-5-methyl-4-nitro-benzene-1,2-dicarboxylate O2-isopropyl O1-methyl 3-acetoxy-5-methyl-4-nitro-benzene-1,2-dicarboxylate
CAS Registry Number 89586-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO8
InChI InChI=1S/C15H17NO8/c1-7(2)23-15(19)11-10(14(18)22-5)6-8(3)12(16(20)21)13(11)24-9(4)17/h6-7H,1-5H3
InChIKey WJTUYAHCZMCROV-UHFFFAOYSA-N
Molecular Weight 339.300 g/mol
SMILES C(=O)(c1c(c(c(c(c1)C)N(=O)=O)OC(=O)C)C(=O)OC(C)C)OC
SPLASH splash10-000i-2190000000-67e3223e9eadb7a610d9
Wiley ID 1484575