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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMSMhNzdxoh
Name 1-(4-Bromophenyl)-2-thiocyanatoethanone
Alternate Name(s) 1-(4-bromophenyl)-2-thiocyanatoethan-1-one
Copyright Copyright © 2020-2024 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
SMILES C(CSC#N)(c1ccc(cc1)Br)=O
SPLASH splash10-0019-0900000000-40723b0651ecba143fd5
Source of Spectrum QA-55-1206-3e
Wiley ID 1796500