| SpectraBase Spectrum ID |
4vBBuWcmGSW |
| Name |
Benzenepropanoic acid, 10-oxotricyclo[4.2.1.1(2,5)]deca-3,7-dienyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.125594437 u |
| Formula |
C19H18O3 |
| InChI |
InChI=1S/C19H18O3/c20-17(11-6-12-4-2-1-3-5-12)22-19-15-9-10-16(19)14-8-7-13(15)18(14)21/h1-5,7-10,13-16,19H,6,11H2/t13-,14+,15+,16-,19+ |
| InChIKey |
GZYRMKMLWFLHRU-LZZRQFQRSA-N |
| SMILES |
C=1[C@@]2([C@](OC(=O)CCC3=CC=CC=C3)([C@](C1)([C@@]1(C=C[C@]2(C1=O)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884184 |
![Benzenepropanoic acid, 10-oxotricyclo[4.2.1.1(2,5)]deca-3,7-dienyl ester](/api/spectrum/4vBBuWcmGSW/structure.png?h=300&w=458 "Benzenepropanoic acid, 10-oxotricyclo[4.2.1.1(2,5)]deca-3,7-dienyl ester")
