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1H-Benzotriazol-1-ylmethyl isocyanide

View entire compound with spectra: 3 NMR, and 1 FTIR

1H-Benzotriazol-1-ylmethyl isocyanide
SpectraBase Compound ID EmJw6URtOtK
InChI InChI=1S/C8H6N4/c1-9-6-12-8-5-3-2-4-7(8)10-11-12/h2-5H,6H2
InChIKey YZTNZXMSOPEFKC-UHFFFAOYSA-N
Mol Weight 158.16 g/mol
Molecular Formula C8H6N4
Exact Mass 158.059246 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID BdJDjbdBlZl
Name 1H-Benzotriazol-1-ylmethyl isocyanide
Source of Sample Aldrich
Catalog Number 367990
CAS Registry Number 87022-42-2
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N4
InChI InChI=1S/C8H6N4/c1-9-6-12-8-5-3-2-4-7(8)10-11-12/h2-5H,6H2
InChIKey YZTNZXMSOPEFKC-UHFFFAOYSA-N
Purity 94%
Synonyms 1-(Isocyanomethyl)-1H-benzotriazole
Wiley ID SIAL_ATR-IR_017150