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1-[[4-(benzenesulfonyl)-5-methyl-2-furyl]-phenyl-methyl]benzotriazole
SpectraBase Compound ID L7kLDEppT1F
InChI InChI=1S/C24H19N3O3S/c1-17-23(31(28,29)19-12-6-3-7-13-19)16-22(30-17)24(18-10-4-2-5-11-18)27-21-15-9-8-14-20(21)25-26-27/h2-16,24H,1H3
InChIKey TWWNZOLULBWAMX-UHFFFAOYSA-N
Mol Weight 429.49 g/mol
Molecular Formula C24H19N3O3S
Exact Mass 429.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PBf5Ba4qzv
Name 1-[[4-(benzenesulfonyl)-5-methyl-2-furyl]-phenyl-methyl]benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.114712655 u
Formula C24H19N3O3S
InChI InChI=1S/C24H19N3O3S/c1-17-23(31(28,29)19-12-6-3-7-13-19)16-22(30-17)24(18-10-4-2-5-11-18)27-21-15-9-8-14-20(21)25-26-27/h2-16,24H,1H3
InChIKey TWWNZOLULBWAMX-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Molecular Weight 429.494 g/mol
Quality 841
SMILES C1=CC=CC=2N(N=NC12)C(C=1OC(=C(C1)S(C1=CC=CC=C1)(=O)=O)C)C1=CC=CC=C1
SPLASH splash10-03di-4749000000-f18f79e5ef3fad3be13c
Source of Spectrum ACI-57-SM178-178-2 (DOI: 10.1002/anie.201807039)
Wiley ID 1896811