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3-Hydroxy-3-methyl-4-[(4-nitrobenzoyl)oxy]butyl 4-nitrobenzoate
SpectraBase Compound ID EKpGbSHMz0S
InChI InChI=1S/C19H18N2O9/c1-19(24,12-30-18(23)14-4-8-16(9-5-14)21(27)28)10-11-29-17(22)13-2-6-15(7-3-13)20(25)26/h2-9,24H,10-12H2,1H3
InChIKey WXTOPJYZKTYNAG-UHFFFAOYSA-N
Mol Weight 418.36 g/mol
Molecular Formula C19H18N2O9
Exact Mass 418.10123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rn754u9dTp
Name 1,2,4-BUTANETRIOL, 2-METHYL-, 1,4-BIS(p-NITROBENZOATE)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H18N2O9
InChI InChI=1S/C19H18N2O9/c1-19(24,12-30-18(23)14-4-8-16(9-5-14)21(27)28)10-11-29-17(22)13-2-6-15(7-3-13)20(25)26/h2-9,24H,10-12H2,1H3
InChIKey WXTOPJYZKTYNAG-UHFFFAOYSA-N
Molecular Weight 418.1007
SMILES OC(C)(CCOC(c1ccc(N(=O)=O)cc1)=O)COC(=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-0uk9-9610000000-6c4546beec46709f6e9f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany