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2C-T-7-m (ho-) 2ac P1237

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

2C-T-7-m (ho-) 2ac P1237
SpectraBase Compound ID LTYY3nsvS15
InChI InChI=1S/C17H25NO5S/c1-11(23-13(3)20)10-24-17-9-15(21-4)14(8-16(17)22-5)6-7-18-12(2)19/h8-9,11H,6-7,10H2,1-5H3,(H,18,19)
InChIKey UIUKJVDRSUTROF-UHFFFAOYSA-N
Mol Weight 355.45 g/mol
Molecular Formula C17H25NO5S
Exact Mass 355.145344 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8vBIlcf3nTT
Name 2C-T-7-m (ho-) 2ac P1237
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.145344078 u
Formula C17H25NO5S
InChI InChI=1S/C17H25NO5S/c1-11(23-13(3)20)10-24-17-9-15(21-4)14(8-16(17)22-5)6-7-18-12(2)19/h8-9,11H,6-7,10H2,1-5H3,(H,18,19)
InChIKey UIUKJVDRSUTROF-UHFFFAOYSA-N
Molecular Weight 355.449 g/mol
SMILES C=1(C=C(CCNC(=O)C)C(=CC1SCC(C)OC(C)=O)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949318