| SpectraBase Spectrum ID |
GPXmLBq4bmn |
| Name |
8-Oxapentacyclo[4.4.0.02,4.03,5.07,10]decane-7-carboxylic acid, 9-oxo-10-phenyl-, methyl ester, stereoisomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.089208927 u |
| Formula |
C17H14O4 |
| InChI |
InChI=1S/C17H14O4/c1-20-15(19)17-13-11-8-9(11)10(8)12(13)16(17,14(18)21-17)7-5-3-2-4-6-7/h2-6,8-13H,1H3/t8-,9+,10?,11?,12?,13?,16?,17? |
| InChIKey |
TXKMSAKWJQSTIP-FEVWRMAYSA-N |
| SMILES |
C12(C(C(=O)OC)(OC2=O)C2C3[C@]4(C([C@@]34[H])C12)[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959979 |
![8-Oxapentacyclo[4.4.0.02,4.03,5.07,10]decane-7-carboxylic acid, 9-oxo-10-phenyl-, methyl ester, stereoisomer](/api/spectrum/GPXmLBq4bmn/structure.png?h=300&w=458 "8-Oxapentacyclo[4.4.0.02,4.03,5.07,10]decane-7-carboxylic acid, 9-oxo-10-phenyl-, methyl ester, stereoisomer")
