| SpectraBase Spectrum ID |
15knB2CJWSw |
| Name |
(1Z)-1-(3-Ethyl-5-hydroxy-2(3H)-benzothiazolylidene)-2-propanone, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.077264518 u |
| Formula |
C14H15NO3S |
| InChI |
InChI=1S/C14H15NO3S/c1-4-15-12-8-11(18-10(3)17)5-6-13(12)19-14(15)7-9(2)16/h5-8H,4H2,1-3H3/b14-7- |
| InChIKey |
RLEOCVDWLAYGRX-AUWJEWJLSA-N |
| Molecular Weight |
277.338 g/mol |
| SMILES |
C1(OC(=O)C)=CC2=C(C=C1)S\C(N2CC)=C/C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893112 |
