| SpectraBase Spectrum ID |
2tYFzNNBJdT |
| Name |
Benzoxazol, 2,3-dihydro-2-thioxo-3-diallylaminomethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.098334316 u |
| Formula |
C14H16N2OS |
| InChI |
InChI=1S/C14H16N2OS/c1-3-9-15(10-4-2)11-16-12-7-5-6-8-13(12)17-14(16)18/h3-8H,1-2,9-11H2 |
| InChIKey |
LSCLMNBSNSSBBU-UHFFFAOYSA-N |
| Molecular Weight |
260.355 g/mol |
| SMILES |
C1=CC=C2N(C(OC2=C1)=S)CN(CC=C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910502 |
