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3,7-Dimethyl-5-{2-[(4-nitrobenzoyl)hydrazino]carbonyl}tricyclo[3.3.0.0(3,7)]octane-1-carboxylic acid
SpectraBase Compound ID 4w7mRy3ED8b
InChI InChI=1S/C19H21N3O6/c1-16-7-18(8-17(16,2)10-19(18,9-16)15(25)26)14(24)21-20-13(23)11-3-5-12(6-4-11)22(27)28/h3-6H,7-10H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)
InChIKey VBLVMKKYELBTBF-UHFFFAOYSA-N
Mol Weight 387.39 g/mol
Molecular Formula C19H21N3O6
Exact Mass 387.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3LHHABFICa
Name 3,7-Dimethyl-5-{2-[(4-nitrobenzoyl)hydrazino]carbonyl}tricyclo[3.3.0.0(3,7)]octane-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O6
InChI InChI=1S/C19H21N3O6/c1-16-7-18(8-17(16,2)10-19(18,9-16)15(25)26)14(24)21-20-13(23)11-3-5-12(6-4-11)22(27)28/h3-6H,7-10H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)
InChIKey VBLVMKKYELBTBF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201000306
Molecular Weight 387.392 g/mol
SMILES N(C(C12C3(C(=O)O)CC(C(C2)(C)C3)(C)C1)=O)NC(=O)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0w29-0911000000-d7359ad8b2844ff0be91
Source of Spectrum CMC-5-2072/SM1-2c
Synonyms 3,7-Dimethyl-5-(2-(4-nitrobenzoyl)hydrazinecarbonyl)tricyclo[3.3.0.0(3,7)]octane-1-carboxylic acid
Wiley ID 1771654