| SpectraBase Spectrum ID |
IdqV64p1J1z |
| Name |
Methyl 2'-methoxy-6'-oxo-7'-phenylsulfanylspiro[cyclopropane-1,8'-bicyclo[3.2.1]oct-2'-ene]-1'-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.108230294 u |
| Formula |
C19H20O4S |
| InChI |
InChI=1S/C19H20O4S/c1-22-14-9-8-13-15(20)16(24-12-6-4-3-5-7-12)19(14,17(21)23-2)18(13)10-11-18/h3-7,9,13,16H,8,10-11H2,1-2H3/t13-,16?,19+/m1/s1 |
| InChIKey |
WAQVOYIJZYRFKO-LHQUYYRUSA-N |
| Molecular Weight |
344.425 g/mol |
| SMILES |
C12([C@@]3(C(SC=4C=CC=CC4)C([C@]1(CC=C3OC)[H])=O)C(=O)OC)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879269 |
![Methyl 2'-methoxy-6'-oxo-7'-phenylsulfanylspiro[cyclopropane-1,8'-bicyclo[3.2.1]oct-2'-ene]-1'-carboxylate](/api/spectrum/IdqV64p1J1z/structure.png?h=300&w=458 "Methyl 2'-methoxy-6'-oxo-7'-phenylsulfanylspiro[cyclopropane-1,8'-bicyclo[3.2.1]oct-2'-ene]-1'-carboxylate")
