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1,3-Propanediol, 2-(2,2-dimethoxyethyl)-, bis(4-nitrobenzoate)
SpectraBase Compound ID 6FpoqzWVAay
InChI InChI=1S/C21H22N2O10/c1-30-19(31-2)11-14(12-32-20(24)15-3-7-17(8-4-15)22(26)27)13-33-21(25)16-5-9-18(10-6-16)23(28)29/h3-10,14,19H,11-13H2,1-2H3
InChIKey JXPLRCZDASFYMU-UHFFFAOYSA-N
Mol Weight 462.41 g/mol
Molecular Formula C21H22N2O10
Exact Mass 462.127445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnlwnJFMMoD
Name 1,3-Propanediol, 2-(2,2-dimethoxyethyl)-, bis(4-nitrobenzoate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O10
InChI InChI=1S/C21H22N2O10/c1-30-19(31-2)11-14(12-32-20(24)15-3-7-17(8-4-15)22(26)27)13-33-21(25)16-5-9-18(10-6-16)23(28)29/h3-10,14,19H,11-13H2,1-2H3
InChIKey JXPLRCZDASFYMU-UHFFFAOYSA-N
Molecular Weight 462.411 g/mol
SMILES c1(N(=O)=O)ccc(cc1)C(=O)OCC(CC(OC)OC)COC(=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0fb9-9410000000-fada020b6e9a2a43e8ca
Synonyms 4-Nitrobenzoic acid [4,4-dimethoxy-2-[[(4-nitrophenyl)-oxomethoxy]methyl]butyl] ester [4,4-dimethoxy-2-[(4-nitrobenzoyl)oxymethyl]butyl] 4-nitrobenzoate [4,4-dimethoxy-2-[(4-nitrophenyl)carbonyloxymethyl]butyl] 4-nitrobenzoate
Wiley ID 1488190