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1,3,5-Triazine-2(1H)-thione, 5-(1,3-benzodioxol-5-ylmethyl)tetrahydro-

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

1,3,5-Triazine-2(1H)-thione, 5-(1,3-benzodioxol-5-ylmethyl)tetrahydro-
SpectraBase Compound ID 85VAvBjpsgk
InChI InChI=1S/C11H13N3O2S/c17-11-12-5-14(6-13-11)4-8-1-2-9-10(3-8)16-7-15-9/h1-3H,4-7H2,(H2,12,13,17)
InChIKey JSKZYAPGCAXNQT-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C11H13N3O2S
Exact Mass 251.072848 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J7suX8Cvk7g
Name 1,3,5-Triazine-2(1H)-thione, 5-(1,3-benzodioxol-5-ylmethyl)tetrahydro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.072847843 u
Formula C11H13N3O2S
InChI InChI=1S/C11H13N3O2S/c17-11-12-5-14(6-13-11)4-8-1-2-9-10(3-8)16-7-15-9/h1-3H,4-7H2,(H2,12,13,17)
InChIKey JSKZYAPGCAXNQT-UHFFFAOYSA-N
Molecular Weight 251.304 g/mol
SMILES C1(NCN(CN1)CC=1C=CC2=C(C1)OCO2)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940177