| SpectraBase Spectrum ID |
8fxcPBZBPGe |
| Name |
(1S*,5S*)-Ethyl 1-ethyl-3-hydroxy-5-(4-methoxyphenyl)-4-methyl-2-oxocyclopent-3-enecarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.146723803 u |
| Formula |
C18H22O5 |
| InChI |
InChI=1S/C18H22O5/c1-5-18(17(21)23-6-2)14(11(3)15(19)16(18)20)12-7-9-13(22-4)10-8-12/h7-10,14,19H,5-6H2,1-4H3/t14-,18+/m1/s1 |
| InChIKey |
BQHORGWSCIEFEU-KDOFPFPSSA-N |
| Molecular Weight |
318.369 g/mol |
| SMILES |
C=1C=C([C@@]2([C@@](C(OCC)=O)(CC)C(=O)C(O)=C2C)[H])C=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845064 |
