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Phenyl-(3,4,6-trimethyl-2,5-dihydrothiopyran-6-yl)methanone

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Phenyl-(3,4,6-trimethyl-2,5-dihydrothiopyran-6-yl)methanone
SpectraBase Compound ID 9LsNtsmYzCx
InChI InChI=1S/C15H18OS/c1-11-9-15(3,17-10-12(11)2)14(16)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKey CIWJDEHXYFZPBT-UHFFFAOYSA-N
Mol Weight 246.37 g/mol
Molecular Formula C15H18OS
Exact Mass 246.107836 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FMeBVCAHXku
Name Phenyl-(3,4,6-trimethyl-2,5-dihydrothiopyran-6-yl)methanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.107836373 u
Formula C15H18OS
InChI InChI=1S/C15H18OS/c1-11-9-15(3,17-10-12(11)2)14(16)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKey CIWJDEHXYFZPBT-UHFFFAOYSA-N
Molecular Weight 246.368 g/mol
SMILES C1(SCC(=C(C1)C)C)(C(=O)C=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955026