| SpectraBase Spectrum ID |
AbCXUa9DInv |
| Name |
Methyl 8-chloro-10-oxo-2-phenyl-2,3,4,10-tetrahydropyrano[3,2-B][1]benzopyran-3-ylacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.076451342 u |
| Formula |
C21H17ClO5 |
| InChI |
InChI=1S/C21H17ClO5/c1-25-18(23)10-13-9-17-21(27-20(13)12-5-3-2-4-6-12)19(24)15-11-14(22)7-8-16(15)26-17/h2-8,11,13,20H,9-10H2,1H3/t13-,20-/m0/s1 |
| InChIKey |
SFQYTKSIFWFELE-RBZFPXEDSA-N |
| Molecular Weight |
384.815 g/mol |
| SMILES |
C12=C(OC=3C(C2=O)=CC(=CC3)Cl)C[C@]([C@@](O1)(C1=CC=CC=C1)[H])(CC(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814541 |
![Methyl 8-chloro-10-oxo-2-phenyl-2,3,4,10-tetrahydropyrano[3,2-b][1]benzopyran-3-ylacetate](/api/spectrum/AbCXUa9DInv/structure.png?h=300&w=458 "Methyl 8-chloro-10-oxo-2-phenyl-2,3,4,10-tetrahydropyrano[3,2-b][1]benzopyran-3-ylacetate")
