| SpectraBase Spectrum ID |
2Ir0XnZXjNj |
| Name |
7-Chloro-2-(methylthio)spiro[4H,5H-pyrano[3,4-E]-1,3-oxazine-5,2'(3'H)-benzoxazol]-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.997155648 u |
| Formula |
C14H9ClN2O4S |
| InChI |
InChI=1S/C14H9ClN2O4S/c1-22-13-16-12(18)11-9(19-13)6-10(15)21-14(11)17-7-4-2-3-5-8(7)20-14/h2-6,17H,1H3 |
| InChIKey |
UEGOMWSBOJPNCG-UHFFFAOYSA-N |
| Molecular Weight |
336.749 g/mol |
| SMILES |
N1C=2C=CC=CC2OC11C=2C(N=C(OC2C=C(O1)Cl)SC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.757511 |
![7-chloro-2-(methylthio)spiro[4H,5H-pyrano[3,4-e]-1,3-oxazine-5,2'(3'H)-benzoxazol]-4-one](/api/spectrum/2Ir0XnZXjNj/structure.png?h=300&w=458 "7-chloro-2-(methylthio)spiro[4H,5H-pyrano[3,4-e]-1,3-oxazine-5,2'(3'H)-benzoxazol]-4-one")
