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3-(3-Methylbut-2-enyl)-1,4-bis(4-nitrobenzoyloxy)naphthalene-2-carboxylic acid, methyl ester
SpectraBase Compound ID Hh9Pg9MJgW1
InChI InChI=1S/C31H24N2O10/c1-18(2)8-17-25-26(31(36)41-3)28(43-30(35)20-11-15-22(16-12-20)33(39)40)24-7-5-4-6-23(24)27(25)42-29(34)19-9-13-21(14-10-19)32(37)38/h4-16H,17H2,1-3H3
InChIKey JJXIPIFBJLXKHP-UHFFFAOYSA-N
Mol Weight 584.54 g/mol
Molecular Formula C31H24N2O10
Exact Mass 584.143095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLHtcj6uyXl
Name 3-(3-METHYL-BUT-2-ENYL)-1,4-BIS(4-NITRO-BENZOYLOXY)NAPHTHALENE-2-CARBOXYLIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H24N2O10
InChI InChI=1S/C31H24N2O10/c1-18(2)8-17-25-26(31(36)41-3)28(43-30(35)20-11-15-22(16-12-20)33(39)40)24-7-5-4-6-23(24)27(25)42-29(34)19-9-13-21(14-10-19)32(37)38/h4-16H,17H2,1-3H3
InChIKey JJXIPIFBJLXKHP-UHFFFAOYSA-N
Molecular Weight 584.1424
SMILES C(c1ccc(N(=O)=O)cc1)(=O)Oc1c(CC=C(C)C)c(C(OC)=O)c(OC(c2ccc(N(=O)=O)cc2)=O)c2ccccc12
SPLASH splash10-0udi-2930100000-176fd6113863fc32fb87
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany