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5-{2-[(3-Bromobenzoyl)hydrazino]carbonyl}-3,7-dimethyltricyclo[3.3.0.0(3,7)]octane-1-carboxylic acid
SpectraBase Compound ID D3rcwRM1dgC
InChI InChI=1S/C19H21BrN2O4/c1-16-7-18(8-17(16,2)10-19(18,9-16)15(25)26)14(24)22-21-13(23)11-4-3-5-12(20)6-11/h3-6H,7-10H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKey TVJFZJXPAGJYGO-UHFFFAOYSA-N
Mol Weight 421.29 g/mol
Molecular Formula C19H21BrN2O4
Exact Mass 420.06847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtxR2o26K
Name 5-{2-[(3-Bromobenzoyl)hydrazino]carbonyl}-3,7-dimethyltricyclo[3.3.0.0(3,7)]octane-1-carboxylic acid
Alternate Name(s) 5-(2-(3-bromobenzoyl)hydrazinecarbonyl)-3,7-dimethyltricyclo[3.3.0.0(3,7)]octane-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21BrN2O4
InChI InChI=1S/C19H21BrN2O4/c1-16-7-18(8-17(16,2)10-19(18,9-16)15(25)26)14(24)22-21-13(23)11-4-3-5-12(20)6-11/h3-6H,7-10H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKey TVJFZJXPAGJYGO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201000306
Molecular Weight 421.291 g/mol
SMILES OC(C12CC3(C(CC1(C(=O)NNC(=O)c1cc(ccc1)Br)C3)(C2)C)C)=O
SPLASH splash10-06v0-2930000000-e837fdc17a621d052a62
Source of Spectrum CMC-5-2072/SM2-2i
Wiley ID 1771660