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Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9A-hexahydro-

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Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9A-hexahydro-
SpectraBase Compound ID 7ePwrDLB73b
InChI InChI=1S/C12H14S/c1-2-7-11-12-9(4-1)5-3-6-10(12)8-13-11/h3,5-6,11H,1-2,4,7-8H2
InChIKey ZWHJDQXXGNGYCJ-UHFFFAOYSA-N
Mol Weight 190.3 g/mol
Molecular Formula C12H14S
Exact Mass 190.081622 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 36jZB3lCsU4
Name Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9A-hexahydro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.081621625 u
Formula C12H14S
InChI InChI=1S/C12H14S/c1-2-7-11-12-9(4-1)5-3-6-10(12)8-13-11/h3,5-6,11H,1-2,4,7-8H2
InChIKey ZWHJDQXXGNGYCJ-UHFFFAOYSA-N
Molecular Weight 190.304 g/mol
SMILES C1CCCC2C=3C1=CC=CC3CS2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928801