| SpectraBase Spectrum ID |
8l0y4tIfzxp |
| Name |
T-Butyl 8-phenyl-6H-benzofuro[2,3-C]]thiopyran-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.113315675 u |
| Formula |
C22H20O3S |
| InChI |
InChI=1S/C22H20O3S/c1-22(2,3)25-21(23)16-13-26-20(14-9-5-4-6-10-14)19-18(16)15-11-7-8-12-17(15)24-19/h4-12H,13H2,1-3H3 |
| InChIKey |
VBVKRMONLYSSTB-UHFFFAOYSA-N |
| Molecular Weight |
364.459 g/mol |
| SMILES |
C1=2C(=C(C(OC(C)(C)C)=O)CSC2C2=CC=CC=C2)C=2C=CC=CC2O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967972 |
![t-Butyl 8-phenyl-6H-benzofuro[2,3-c]]thiopyran-5-carboxylate](/api/spectrum/8l0y4tIfzxp/structure.png?h=300&w=458 "t-Butyl 8-phenyl-6H-benzofuro[2,3-c]]thiopyran-5-carboxylate")
