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7-Octene-2,4-diol, bis(4-nitrobenzoate)

View entire compound with spectra: 2 MS (GC)

7-Octene-2,4-diol, bis(4-nitrobenzoate)
SpectraBase Compound ID EyJTS8cN7Pm
InChI InChI=1S/C22H22N2O8/c1-3-4-5-20(32-22(26)17-8-12-19(13-9-17)24(29)30)14-15(2)31-21(25)16-6-10-18(11-7-16)23(27)28/h3,6-13,15,20H,1,4-5,14H2,2H3
InChIKey VIWCMELDGAGGAM-UHFFFAOYSA-N
Mol Weight 442.42 g/mol
Molecular Formula C22H22N2O8
Exact Mass 442.137616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tE7UOEGPAZ
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H22N2O8
InChI InChI=1S/C22H22N2O8/c1-3-4-5-20(32-22(26)17-8-12-19(13-9-17)24(29)30)14-15(2)31-21(25)16-6-10-18(11-7-16)23(27)28/h3,6-13,15,20H,1,4-5,14H2,2H3
InChIKey VIWCMELDGAGGAM-UHFFFAOYSA-N
Molecular Weight 442.1370
SMILES c1c(N(=O)=O)ccc(C(OC(CC(OC(c2ccc(N(=O)=O)cc2)=O)C)CCC=C)=O)c1
SPLASH splash10-0udi-5920000000-b311dc99796f2cc3d2de
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany