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4-(1-Benzyl-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzoic Acid Ethyl Ester
SpectraBase Compound ID oSD3BBlxD0
InChI InChI=1S/C27H24N2O2/c1-2-31-27(30)22-14-12-21(13-15-22)25-24-17-16-20-10-6-7-11-23(20)26(24)29(28-25)18-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3
InChIKey JAPYUKJHRAXTTH-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C27H24N2O2
Exact Mass 408.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGqv8kcpVdS
Name 4-(1-Benzyl-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzoic Acid Ethyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N2O2
InChI InChI=1S/C27H24N2O2/c1-2-31-27(30)22-14-12-21(13-15-22)25-24-17-16-20-10-6-7-11-23(20)26(24)29(28-25)18-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3
InChIKey JAPYUKJHRAXTTH-UHFFFAOYSA-N
Molecular Weight 408.501 g/mol
SMILES c12c([n](Cc3ccccc3)nc1-c1ccc(C(=O)OCC)cc1)-c1ccccc1CC2
SPLASH splash10-0a4i-1011900000-e3e2da87dbaf069ac6f2
Source of Spectrum F4-41-3667-18a
Wiley ID 1674560