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N-[(1,3-Benzodioxol-5-yl)methyl]-3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
SpectraBase Compound ID LMXwLVgjw5c
InChI InChI=1S/C21H23N3O2/c1-21(2,3)19-12-20(24(23-19)16-7-5-4-6-8-16)22-13-15-9-10-17-18(11-15)26-14-25-17/h4-12,22H,13-14H2,1-3H3
InChIKey MFRYKJTWLKIIFX-UHFFFAOYSA-N
Mol Weight 349.43 g/mol
Molecular Formula C21H23N3O2
Exact Mass 349.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OuuTWw3RdQ
Name N-[(1,3-Benzodioxol-5-yl)methyl]-3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
Alternate Name(s) N-(1,3-benzodioxol-5-ylmethyl)-5-tert-butyl-2-phenyl-3-pyrazolamine N-(1,3-benzodioxol-5-ylmethyl)-5-tert-butyl-2-phenylpyrazol-3-amine N-(1,3-benzodioxol-5-ylmethyl)-5-tert-butyl-2-phenyl-pyrazol-3-amine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O2
InChI InChI=1S/C21H23N3O2/c1-21(2,3)19-12-20(24(23-19)16-7-5-4-6-8-16)22-13-15-9-10-17-18(11-15)26-14-25-17/h4-12,22H,13-14H2,1-3H3
InChIKey MFRYKJTWLKIIFX-UHFFFAOYSA-N
Molecular Weight 349.434 g/mol
SMILES N(c1[n](nc(c1)C(C)(C)C)-c1ccccc1)Cc1cc2OCOc2cc1
SPLASH splash10-000i-0901000000-1f1f598cbc6c8ffd2bd6
Source of Spectrum U1-2010-6460-13l
Wiley ID 1664633