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1-(4-Octylbenzyl)pyrazole-3-carboxylic acid
SpectraBase Compound ID Hifc9VfAbp3
InChI InChI=1S/C19H26N2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)15-21-14-13-18(20-21)19(22)23/h9-14H,2-8,15H2,1H3,(H,22,23)
InChIKey STDHSNLZXGZZQO-UHFFFAOYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C19H26N2O2
Exact Mass 314.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HhwPSMBzU
Name 1-(4-Octylbenzyl)pyrazole-3-carboxylic acid
Alternate Name(s) 1-(4-octylbenzyl)-1H-pyrazole-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N2O2
InChI InChI=1S/C19H26N2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)15-21-14-13-18(20-21)19(22)23/h9-14H,2-8,15H2,1H3,(H,22,23)
InChIKey STDHSNLZXGZZQO-UHFFFAOYSA-N
Molecular Weight 314.429 g/mol
SMILES OC(c1n[n](cc1)Cc1ccc(cc1)CCCCCCCC)=O
SPLASH splash10-0uxu-4900000000-bf0d5c0488b710a408f9
Source of Spectrum QC-24-1459-11
Wiley ID 1584249