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Ethyl 1-(4-Methoxyphenyl)-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxylate
SpectraBase Compound ID Bu5og5uHd3i
InChI InChI=1S/C22H22N2O3/c1-3-27-22(25)20-19-10-6-8-15-7-4-5-9-18(15)21(19)24(23-20)16-11-13-17(26-2)14-12-16/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3
InChIKey XSJDPOLSQOMOGO-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pMOSx6Yzmy
Name Ethyl 1-(4-Methoxyphenyl)-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c1-3-27-22(25)20-19-10-6-8-15-7-4-5-9-18(15)21(19)24(23-20)16-11-13-17(26-2)14-12-16/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3
InChIKey XSJDPOLSQOMOGO-UHFFFAOYSA-N
Molecular Weight 362.429 g/mol
SMILES c-12[n](nc(c2CCCc2c1cccc2)C(=O)OCC)-c1ccc(cc1)OC
SPLASH splash10-000i-0096000000-8f3d565f9810f0d82370
Source of Spectrum E2-50-1112-13
Synonyms Ethyl 1-(4-methoxyphenyl)-5,6-dihydro-4H-benzo[1,2]cyclohepta[3,4-b]pyrazole-3-carboxylate
Wiley ID 1555919