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1-(4-Bromophenyl)-2-thiocyanatoethanone

View entire compound with spectra: 3 NMR, and 1 MS (GC)

1-(4-Bromophenyl)-2-thiocyanatoethanone
SpectraBase Compound ID AalTPfOpByH
InChI InChI=1S/C9H6BrNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2
InChIKey PIXLLQKMZXDTOU-UHFFFAOYSA-N
Mol Weight 256.12 g/mol
Molecular Formula C9H6BrNOS
Exact Mass 254.935348 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KrfyQ6677xB
Name 4'-Bromophenacyl thiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 341835
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6BrNOS
InChI InChI=1S/C9H6BrNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2
InChIKey PIXLLQKMZXDTOU-UHFFFAOYSA-N
Molecular Weight 256.117 g/mol
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_013858