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3,4-Dihydro-2H-1-benzothiopyran-4-carbonitrile
SpectraBase Compound ID Dww7Vd6qBQr
InChI InChI=1S/C10H9NS/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2
InChIKey BHTXVWDNWFMDQY-UHFFFAOYSA-N
Mol Weight 175.25 g/mol
Molecular Formula C10H9NS
Exact Mass 175.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sEHrbWMQYQ
Name 3,4-Dihydro-2H-1-benzothiopyran-4-carbonitrile
Alternate Name(s) Thiochroman-4-carbonitrile thiochromane-4-carbonitrile
CAS Registry Number 120783-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NS
InChI InChI=1S/C10H9NS/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2
InChIKey BHTXVWDNWFMDQY-UHFFFAOYSA-N
Molecular Weight 175.249 g/mol
SMILES C(#N)C1c2c(cccc2)SCC1
SPLASH splash10-004i-0900000000-2f1808bdb9a2ce4701a6
Source of Spectrum KC-1988-3378-9
Wiley ID 1171508