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1,3-Propanediol, 2-(2,2-dimethoxyethyl)-, bis(4-nitrobenzoate)

View entire compound with spectra: 2 MS (GC)

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 CitqX1r9rbd
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 462.1268
SMILES c1(N(=O)=O)ccc(C(OCC(COC(c2ccc(N(=O)=O)cc2)=O)CC(OC)OC)=O)cc1
SPLASH splash10-0fb9-9410000000-e884baf76e8176a3d5b0
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