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5,8-Methano-4H-1,3-benzoxazine-2-thione, 1,2,4A-rel,5-cis,8-cis-hexahydro-

View entire compound with spectra: 1 FTIR

5,8-Methano-4H-1,3-benzoxazine-2-thione, 1,2,4A-rel,5-cis,8-cis-hexahydro-
SpectraBase Compound ID Hs45WeYG9kd
InChI InChI=1S/C9H11NOS/c12-9-10-4-7-5-1-2-6(3-5)8(7)11-9/h1-2,5-8H,3-4H2,(H,10,12)
InChIKey XGEMUBMYKIJHFE-UHFFFAOYSA-N
Mol Weight 181.25 g/mol
Molecular Formula C9H11NOS
Exact Mass 181.056135 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FkD1jCY0LI8
Name 5,8-Methano-4H-1,3-benzoxazine-2-thione, 1,2,4A-rel,5-cis,8-cis-hexahydro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 181.056135151 u
Formula C9H11NOS
InChI InChI=1S/C9H11NOS/c12-9-10-4-7-5-1-2-6(3-5)8(7)11-9/h1-2,5-8H,3-4H2,(H,10,12)
InChIKey XGEMUBMYKIJHFE-UHFFFAOYSA-N
Molecular Weight 181.253 g/mol
SMILES C1=CC2C3C(C1C2)CNC(O3)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893435