For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[5-[benzotriazol-1-yl(phenyl)methyl]-2-methyl-3-furyl]ethanone
SpectraBase Compound ID F8AI4WQGlmw
InChI InChI=1S/C20H17N3O2/c1-13(24)16-12-19(25-14(16)2)20(15-8-4-3-5-9-15)23-18-11-7-6-10-17(18)21-22-23/h3-12,20H,1-2H3
InChIKey HMMBQUQZAYPOHK-UHFFFAOYSA-N
Mol Weight 331.38 g/mol
Molecular Formula C20H17N3O2
Exact Mass 331.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3QkDxcXblX3
Name 1-[5-[benzotriazol-1-yl(phenyl)methyl]-2-methyl-3-furyl]ethanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.132076797 u
Formula C20H17N3O2
InChI InChI=1S/C20H17N3O2/c1-13(24)16-12-19(25-14(16)2)20(15-8-4-3-5-9-15)23-18-11-7-6-10-17(18)21-22-23/h3-12,20H,1-2H3
InChIKey HMMBQUQZAYPOHK-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Molecular Weight 331.375 g/mol
Quality 756
SMILES C1=CC=CC=2N(N=NC12)C(C=1OC(=C(C1)C(=O)C)C)C1=CC=CC=C1
SPLASH splash10-03di-1390000000-41073e28ec4902d950ec
Source of Spectrum ACI-57-SM171-6a' (DOI: 10.1002/anie.201807039)
Wiley ID 1896830