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5-Methoxy-8-(methylthio)-N,N-dipropyl-3,4-dihydro-2H-1-benzopyran-3-amine

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

5-Methoxy-8-(methylthio)-N,N-dipropyl-3,4-dihydro-2H-1-benzopyran-3-amine
SpectraBase Compound ID YzljGNM1oh
InChI InChI=1S/C17H27NO2S/c1-5-9-18(10-6-2)13-11-14-15(19-3)7-8-16(21-4)17(14)20-12-13/h7-8,13H,5-6,9-12H2,1-4H3
InChIKey OSAFTUHMDVBMAD-UHFFFAOYSA-N
Mol Weight 309.47 g/mol
Molecular Formula C17H27NO2S
Exact Mass 309.17625 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6QtAAirON5i
Name 5-Methoxy-8-(methylthio)-N,N-dipropyl-3,4-dihydro-2H-1-benzopyran-3-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.176250285 u
Formula C17H27NO2S
InChI InChI=1S/C17H27NO2S/c1-5-9-18(10-6-2)13-11-14-15(19-3)7-8-16(21-4)17(14)20-12-13/h7-8,13H,5-6,9-12H2,1-4H3
InChIKey OSAFTUHMDVBMAD-UHFFFAOYSA-N
SMILES C1C(CC=2C(=CC=C(C2O1)SC)OC)N(CCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950763