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1-(4-Octylbenzyl)-1H-pyrazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID EN38Go4GIOq
InChI InChI=1S/C21H30N2O2/c1-3-5-6-7-8-9-10-18-11-13-19(14-12-18)17-23-16-15-20(22-23)21(24)25-4-2/h11-16H,3-10,17H2,1-2H3
InChIKey UTAQIVYSCNPCBG-UHFFFAOYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C21H30N2O2
Exact Mass 342.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5ZAKJfmZSt
Name 1-(4-Octylbenzyl)-1H-pyrazole-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 1-(4-octylbenzyl)-1H-pyrazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O2
InChI InChI=1S/C21H30N2O2/c1-3-5-6-7-8-9-10-18-11-13-19(14-12-18)17-23-16-15-20(22-23)21(24)25-4-2/h11-16H,3-10,17H2,1-2H3
InChIKey UTAQIVYSCNPCBG-UHFFFAOYSA-N
Molecular Weight 342.483 g/mol
SMILES c1(n[n](cc1)Cc1ccc(cc1)CCCCCCCC)C(=O)OCC
SPLASH splash10-0uxu-3900000000-2a543aa121e6c09fc466
Source of Spectrum QC-24-1459-10
Wiley ID 1584250