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O-(adamantan-1-yl) S-methyl carbonodithioate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

O-(adamantan-1-yl) S-methyl carbonodithioate
SpectraBase Compound ID zqFBdrbDF3
InChI InChI=1S/C12H18OS2/c1-15-11(14)13-12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3/t8-,9+,10-,12-
InChIKey HKPATNVSZKYDMS-GOCCLTDMSA-N
Mol Weight 242.39 g/mol
Molecular Formula C12H18OS2
Exact Mass 242.079908 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2p5ywoNdvqg
Name (Methylthio)methanethioic acid o-(1-adamantyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.079907547 u
Formula C12H18OS2
InChI InChI=1S/C12H18OS2/c1-15-11(14)13-12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3/t8-,9+,10-,12-
InChIKey HKPATNVSZKYDMS-GOCCLTDMSA-N
Molecular Weight 242.395 g/mol
SMILES C12(OC(=S)SC)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881897