| SpectraBase Spectrum ID |
958r0X5uSZd |
| Name |
Bicyclo[2.2.1]hept-5-ene-2-acetic acid, .alpha.-oxo-exo-3-(2-oxo-1-phenylethenyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.104858991 u |
| Formula |
C18H16O4 |
| InChI |
InChI=1S/C18H16O4/c1-22-18(21)17(20)16-13-8-7-12(9-13)15(16)14(10-19)11-5-3-2-4-6-11/h2-8,12-13,15-16H,9H2,1H3/t12-,13+,15-,16+/m0/s1 |
| InChIKey |
DARGYEFZKPIBKF-LQKXBSAESA-N |
| SMILES |
C=1[C@]2(C[C@@](C1)([C@]([C@@]2(C(=C=O)C1=CC=CC=C1)[H])(C(C(OC)=O)=O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869181 |
![Bicyclo[2.2.1]hept-5-ene-2-acetic acid, .alpha.-oxo-exo-3-(2-oxo-1-phenylethenyl)-, methyl ester](/api/spectrum/958r0X5uSZd/structure.png?h=300&w=458 "Bicyclo[2.2.1]hept-5-ene-2-acetic acid, .alpha.-oxo-exo-3-(2-oxo-1-phenylethenyl)-, methyl ester")
