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4-Heptadecyl-4-nitro-heptanedioic acid

View entire compound with spectra: 1 MS (GC)

4-Heptadecyl-4-nitro-heptanedioic acid
SpectraBase Compound ID J6z4674rz9j
InChI InChI=1S/C24H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(25(30)31,20-17-22(26)27)21-18-23(28)29/h2-21H2,1H3,(H,26,27)(H,28,29)
InChIKey VARXTSKLYGKLMS-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C24H45NO6
Exact Mass 443.324688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bC9OI7u5Jd
Name 4-Heptadecyl-4-nitro-heptanedioic acid
Alternate Name(s) 4-Heptadecyl-4-nitro-pimelic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H45NO6
InChI InChI=1S/C24H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(25(30)31,20-17-22(26)27)21-18-23(28)29/h2-21H2,1H3,(H,26,27)(H,28,29)
InChIKey VARXTSKLYGKLMS-UHFFFAOYSA-N
Molecular Weight 443.625 g/mol
SMILES OC(CCC(CCC(=O)O)(N(=O)=O)CCCCCCCCCCCCCCCCC)=O
SPLASH splash10-056s-7908000000-6aad0679d3fd4ba2e9db
Source of Spectrum SO-0-456-8
Wiley ID 864222