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1-(Chloromethyl)-1H-benzotriazole

View entire compound with spectra: 2 NMR, and 1 FTIR

1-(Chloromethyl)-1H-benzotriazole
SpectraBase Compound ID HgWJrCa4P0X
InChI InChI=1S/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2
InChIKey VSEROABGEVRIRY-UHFFFAOYSA-N
Mol Weight 167.6 g/mol
Molecular Formula C7H6ClN3
Exact Mass 167.025025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CHrULpWaJer
Name 1-(Chloromethyl)-1H-benzotriazole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 440051
CAS Registry Number 54187-96-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClN3
InChI InChI=1S/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2
InChIKey VSEROABGEVRIRY-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-(Chloromethyl)benzotriazole
Wiley ID SIAL_1HNMR_009586