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4-[4-(2-benzyltetrazol-5-yl)phenyl]butan-2-one
SpectraBase Compound ID 88lu4MjwPQo
InChI InChI=1S/C18H18N4O/c1-14(23)7-8-15-9-11-17(12-10-15)18-19-21-22(20-18)13-16-5-3-2-4-6-16/h2-6,9-12H,7-8,13H2,1H3
InChIKey HTGAPVOAPACDHB-UHFFFAOYSA-N
Mol Weight 306.37 g/mol
Molecular Formula C18H18N4O
Exact Mass 306.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYQNTJNyRhk
Name 4-[4-(2-benzyltetrazol-5-yl)phenyl]butan-2-one
Alternate Name(s) 4-[4-[2-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]butan-2-one 4-[4-[2-(phenylmethyl)-5-tetrazolyl]phenyl]-2-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N4O
InChI InChI=1S/C18H18N4O/c1-14(23)7-8-15-9-11-17(12-10-15)18-19-21-22(20-18)13-16-5-3-2-4-6-16/h2-6,9-12H,7-8,13H2,1H3
InChIKey HTGAPVOAPACDHB-UHFFFAOYSA-N
Molecular Weight 306.369 g/mol
SMILES CC(CCc1ccc(cc1)-c1n[n](nn1)Cc1ccccc1)=O
SPLASH splash10-000x-9210000000-3c3827b165c4f33eb7c6
Source of Spectrum QB-22-646-8
Wiley ID 860633