| SpectraBase Spectrum ID |
BjbrK2h5xQc |
| Name |
8,11,14-Trioxa-22,24,25-triazatetracyclo[19.3.1.0(2,7).0(15,20)]pentacosa-2,4,6,15(20),16,18-hexaene-23-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.130362719 u |
| Formula |
C19H21N3O3S |
| InChI |
InChI=1S/C19H21N3O3S/c26-19-21-17-13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(20-17)22-19/h1-8,17-18,20H,9-12H2,(H2,21,22,26) |
| InChIKey |
OOTXDKDUSMQMDR-UHFFFAOYSA-N |
| Molecular Weight |
371.455 g/mol |
| SMILES |
C12NC(=S)NC(N2)C=2C(OCCOCCOC3=C1C=CC=C3)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899535 |
![8,11,14-Trioxa-22,24,25-triazatetracyclo[19.3.1.0(2,7).0(15,20)]pentacosa-2,4,6,15(20),16,18-hexaene-23-thione](/api/spectrum/BjbrK2h5xQc/structure.png?h=300&w=458 "8,11,14-Trioxa-22,24,25-triazatetracyclo[19.3.1.0(2,7).0(15,20)]pentacosa-2,4,6,15(20),16,18-hexaene-23-thione")
