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1-Phenyl-2-thiocyanato-propan-1-one
SpectraBase Compound ID LdFo96ATmAl
InChI InChI=1S/C10H9NOS/c1-8(13-7-11)10(12)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey MMLHCZBXGMTTPP-UHFFFAOYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C10H9NOS
Exact Mass 191.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9RqdTNeOO5
Name 1-Phenyl-2-thiocyanato-propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NOS
InChI InChI=1S/C10H9NOS/c1-8(13-7-11)10(12)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey MMLHCZBXGMTTPP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200800179
Molecular Weight 191.248 g/mol
SMILES C(C(C)SC#N)(=O)c1ccccc1
SPLASH splash10-0006-2900000000-deed5973ea8d941b67f3
Source of Spectrum QA-55-1206-3h
Synonyms 1-Phenyl-2-thiocyanatopropan-1-one
Wiley ID 1796501