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(2-anilino-1-cyclopentenyl)-[5-chloro-1-(phenylmethyl)-4-triazolyl]methanone

View entire compound with spectra: 2 MS (GC)

(2-anilino-1-cyclopentenyl)-[5-chloro-1-(phenylmethyl)-4-triazolyl]methanone
SpectraBase Compound ID 6dsa1uP9pUn
InChI InChI=1S/C21H19ClN4O/c22-21-19(24-25-26(21)14-15-8-3-1-4-9-15)20(27)17-12-7-13-18(17)23-16-10-5-2-6-11-16/h1-6,8-11,23H,7,12-14H2
InChIKey IFYLNXPWJRSJFV-UHFFFAOYSA-N
Mol Weight 378.86 g/mol
Molecular Formula C21H19ClN4O
Exact Mass 378.124739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fOHRpnnXpC
Name (2-anilino-1-cyclopentenyl)-[5-chloro-1-(phenylmethyl)-4-triazolyl]methanone
CAS Registry Number 129609-22-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN4O
InChI InChI=1S/C21H19ClN4O/c22-21-19(24-25-26(21)14-15-8-3-1-4-9-15)20(27)17-12-7-13-18(17)23-16-10-5-2-6-11-16/h1-6,8-11,23H,7,12-14H2
InChIKey IFYLNXPWJRSJFV-UHFFFAOYSA-N
Molecular Weight 378.863 g/mol
SMILES N(C1=C(C(c2c([n](Cc3ccccc3)nn2)Cl)=O)CCC1)c1ccccc1
SPLASH splash10-0006-9003000000-e2c85ea5d635e95cc4f6
Source of Spectrum Y-27-1138-7
Synonyms (2-anilinocyclopenten-1-yl)-(1-benzyl-5-chloro-triazol-4-yl)methanone [5-chloranyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]-(2-phenylazanylcyclopenten-1-yl)methanone
Wiley ID 1358767