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1-(2-Benzyl-2H-[1,2,4]triazol-3-yl)-pentan-1-one
SpectraBase Compound ID 3wCDCAVc86Z
InChI InChI=1S/C14H17N3O/c1-2-3-9-13(18)14-15-11-16-17(14)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3
InChIKey XVACECXZXJWSTO-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C14H17N3O
Exact Mass 243.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiXznDUFd9z
Name 1-(2-Benzyl-2H-[1,2,4]triazol-3-yl)-pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3O
InChI InChI=1S/C14H17N3O/c1-2-3-9-13(18)14-15-11-16-17(14)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3
InChIKey XVACECXZXJWSTO-UHFFFAOYSA-N
Molecular Weight 243.310 g/mol
SMILES c1cccc(C[n]2ncnc2C(=O)CCCC)c1
SPLASH splash10-052f-8940000000-0b4d7dc1c6770f8c5ff6
Synonyms 1-(1-Benzyl-1H-1,2,4-triazol-5-yl)-1-pentanone 1-(2-benzyl-1,2,4-triazol-3-yl)pentan-1-one 1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]-1-pentanone 1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]pentan-1-one
Wiley ID 1482045