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3-mt-4-ma Prop

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

3-mt-4-ma Prop
SpectraBase Compound ID E3GkLtv4GY2
InChI InChI=1S/C14H21NO2S/c1-5-14(16)15-10(2)8-11-6-7-12(17-3)13(9-11)18-4/h6-7,9-10H,5,8H2,1-4H3,(H,15,16)
InChIKey YURJZXZIFMGKIV-UHFFFAOYSA-N
Mol Weight 267.39 g/mol
Molecular Formula C14H21NO2S
Exact Mass 267.1293 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3DtSqZDE3FX
Name 3-mt-4-ma Prop
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.129300092 u
Formula C14H21NO2S
InChI InChI=1S/C14H21NO2S/c1-5-14(16)15-10(2)8-11-6-7-12(17-3)13(9-11)18-4/h6-7,9-10H,5,8H2,1-4H3,(H,15,16)
InChIKey YURJZXZIFMGKIV-UHFFFAOYSA-N
Molecular Weight 267.387 g/mol
SMILES C1(=CC(=C(C=C1)OC)SC)CC(NC(CC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922315