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10-carbazolyldecanyl-3,5-dinitrobenzoate
SpectraBase Compound ID BgNBaNbFQeQ
InChI InChI=1S/C29H31N3O6/c33-29(22-19-23(31(34)35)21-24(20-22)32(36)37)38-18-12-6-4-2-1-3-5-11-17-30-27-15-9-7-13-25(27)26-14-8-10-16-28(26)30/h7-10,13-16,19-21H,1-6,11-12,17-18H2
InChIKey VNSALXUHKVLSMS-UHFFFAOYSA-N
Mol Weight 517.58 g/mol
Molecular Formula C29H31N3O6
Exact Mass 517.221286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RT0cA1eouT
Name 10-carbazolyldecanyl-3,5-dinitrobenzoate
Alternate Name(s) 10-(9H-carbazol-9-yl)decyl 3,5-dinitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31N3O6
InChI InChI=1S/C29H31N3O6/c33-29(22-19-23(31(34)35)21-24(20-22)32(36)37)38-18-12-6-4-2-1-3-5-11-17-30-27-15-9-7-13-25(27)26-14-8-10-16-28(26)30/h7-10,13-16,19-21H,1-6,11-12,17-18H2
InChIKey VNSALXUHKVLSMS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20020200209
Molecular Weight 517.582 g/mol
SMILES C(=O)(OCCCCCCCCCC[n]1c2ccccc2c2ccccc12)c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1
SPLASH splash10-000x-9600010000-3a41ab410a91afd4d7c2
Source of Spectrum CJC-20-163-II
Wiley ID 1773632