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Dimethyl 3-methyldihydrothiopyran-2,2-dicarboxylate

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Dimethyl 3-methyldihydrothiopyran-2,2-dicarboxylate
SpectraBase Compound ID IN48SuWka4p
InChI InChI=1S/C10H14O4S/c1-7-5-4-6-15-10(7,8(11)13-2)9(12)14-3/h4-5,7H,6H2,1-3H3
InChIKey QONMVSSNBDYAHU-UHFFFAOYSA-N
Mol Weight 230.28 g/mol
Molecular Formula C10H14O4S
Exact Mass 230.06128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1qaSXpVHRkE
Name Dimethyl 3-methyldihydrothiopyran-2,2-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.061280101 u
Formula C10H14O4S
InChI InChI=1S/C10H14O4S/c1-7-5-4-6-15-10(7,8(11)13-2)9(12)14-3/h4-5,7H,6H2,1-3H3
InChIKey QONMVSSNBDYAHU-UHFFFAOYSA-N
Molecular Weight 230.278 g/mol
SMILES C1(C(=O)OC)(C(=O)OC)SCC=CC1C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937057