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3'-Amino-1'-phenyl-spiro[perhydro[1,3]-oxathiolane-2,4'-(1',5'-dihydropyrazole)]-5'-one

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

3'-Amino-1'-phenyl-spiro[perhydro[1,3]-oxathiolane-2,4'-(1',5'-dihydropyrazole)]-5'-one
SpectraBase Compound ID 8ABHodqePO0
InChI InChI=1S/C11H11N3O2S/c12-9-11(16-6-7-17-11)10(15)14(13-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,13)
InChIKey OWRZQXIOMGPMLI-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AMyfShNWdHF
Name 3'-Amino-1'-phenyl-spiro[perhydro[1,3]-oxathiolane-2,4'-(1',5'-dihydropyrazole)]-5'-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.057197778 u
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c12-9-11(16-6-7-17-11)10(15)14(13-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,13)
InChIKey OWRZQXIOMGPMLI-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES C12(C(=NN(C2=O)C2=CC=CC=C2)N)OCCS1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958379