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2H-Thiopyran, 4H-1,3-dithiin deriv.
SpectraBase Compound ID 7wvsbnZ59ZN
InChI InChI=1S/C9H12S3/c1-2-5-10-8(4-1)9-11-6-3-7-12-9/h2-3,5-6,8-9H,1,4,7H2
InChIKey ONXSQPGONDJBKI-UHFFFAOYSA-N
Mol Weight 216.37 g/mol
Molecular Formula C9H12S3
Exact Mass 216.010114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vLC1sECIuv
Name 2H-Thiopyran, 4H-1,3-dithiin deriv.
CAS Registry Number 116664-52-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12S3
InChI InChI=1S/C9H12S3/c1-2-5-10-8(4-1)9-11-6-3-7-12-9/h2-3,5-6,8-9H,1,4,7H2
InChIKey ONXSQPGONDJBKI-UHFFFAOYSA-N
Molecular Weight 216.375 g/mol
SMILES C1(SC=CCS1)C1SC=CCC1
SPLASH splash10-02mi-9620000000-daaf2e812dbe9939ae3a
Source of Spectrum C-110-7817-20
Synonyms 4H-1,3-Dithiin, 2-(3,4-dihydro-2H-thiopyran-2-yl)- 2-(1-Thia-2-cyclohexe-6-nyl)-1,3-dithia-cyclohex-5-ene 2-(3,4-dihydro-2H-thiopyran-2-yl)-4H-1,3-dithiin
Wiley ID 1215046