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Ethyl 2-(4-Methoxyphenyl)-2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxylate
SpectraBase Compound ID 3Lsf4PMiYkJ
InChI InChI=1S/C22H22N2O3/c1-3-27-22(25)21-19-10-6-8-15-7-4-5-9-18(15)20(19)23-24(21)16-11-13-17(26-2)14-12-16/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3
InChIKey KLUHFQWLNZSWBC-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 BKXKdEjUT2L
Name Ethyl 2-(4-Methoxyphenyl)-2,4,5,6-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)21-19-10-6-8-15-7-4-5-9-18(15)20(19)23-24(21)16-11-13-17(26-2)14-12-16/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3
InChIKey KLUHFQWLNZSWBC-UHFFFAOYSA-N
Molecular Weight 362.429 g/mol
SMILES c1([n](nc-2c1CCCc1c2cccc1)-c1ccc(cc1)OC)C(=O)OCC
SPLASH splash10-03di-0019000000-689a16d3617758ccce56
Source of Spectrum E2-50-1112-14
Synonyms Ethyl 1-(4-Methoxyphenyl)-2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxylate Ethyl 2-(4-methoxyphenyl)-5,6-dihydro-4H-benzo[2,3]cyclohepta[2,4-c]pyrazole-3-carboxylate
Wiley ID 1555918