| SpectraBase Spectrum ID |
EeNquqHRq31 |
| Name |
Methyl 1-chloro-1,3,4,4A,9,9A-hexahydro-3-oxo-4-phenylindeno[2,1-C] pyrane-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.081536723 u |
| Formula |
C20H17ClO4 |
| InChI |
InChI=1S/C20H17ClO4/c1-24-19(23)20(21)15-11-13-9-5-6-10-14(13)17(15)16(18(22)25-20)12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3 |
| InChIKey |
ADZLKHNMIGTSGS-UHFFFAOYSA-N |
| Molecular Weight |
356.805 g/mol |
| SMILES |
C1(OC(=O)C(C2C1CC=1C=CC=CC21)C1=CC=CC=C1)(C(=O)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95901 |
![Methyl 1-chloro-1,3,4,4a,9,9a-hexahydro-3-oxo-4-phenylindeno[2,1-c] pyrane-1-carboxylate](/api/spectrum/EeNquqHRq31/structure.png?h=300&w=458 "Methyl 1-chloro-1,3,4,4a,9,9a-hexahydro-3-oxo-4-phenylindeno[2,1-c] pyrane-1-carboxylate")
