SpectraBase Spectrum ID |
16UJYffe3rJ |
Name |
1,4-Dioxa-8-azaspiro[4.5]decane-8-carbothioic acid phenylamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
278.108899000 u |
Formula |
C14H18N2O2S |
InChI |
InChI=1S/C14H18N2O2S/c19-13(15-12-4-2-1-3-5-12)16-8-6-14(7-9-16)17-10-11-18-14/h1-5H,6-11H2,(H,15,19) |
InChIKey |
UXXZQTDHQFTEET-UHFFFAOYSA-N |
SMILES |
C12(OCCO2)CCN(C(NC2=CC=CC=C2)=S)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941128 |