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cis-3-Acetoxy-4-ethoxycarbonylamino-1-thia-cyclopentane

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

cis-3-Acetoxy-4-ethoxycarbonylamino-1-thia-cyclopentane
SpectraBase Compound ID G8xxtiZUJAY
InChI InChI=1S/C9H15NO4S/c1-3-13-9(12)10-7-4-15-5-8(7)14-6(2)11/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8+/m1/s1
InChIKey ZHGFTVVJUYRNOI-SFYZADRCSA-N
Mol Weight 233.28 g/mol
Molecular Formula C9H15NO4S
Exact Mass 233.072179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JK2sdqS7lZS
Name cis-3-Acetoxy-4-ethoxycarbonylamino-1-thia-cyclopentane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.072179137 u
Formula C9H15NO4S
InChI InChI=1S/C9H15NO4S/c1-3-13-9(12)10-7-4-15-5-8(7)14-6(2)11/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8+/m1/s1
InChIKey ZHGFTVVJUYRNOI-SFYZADRCSA-N
Molecular Weight 233.282 g/mol
SMILES C(N[C@]1([C@@](OC(=O)C)(CSC1)[H])[H])(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873648