| SpectraBase Spectrum ID |
1BaoKBwY43c |
| Name |
Bicyclo[4.2.0]octa-2,4-diene-7-acetic acid, 8-(5-phenyl-2,4-pentadienyl)-, [1.alpha.,6.alpha.,7.beta.,8.alpha.(2E,4E)]-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.161979946 u |
| Formula |
C21H22O2 |
| InChI |
InChI=1S/C21H22O2/c22-21(23)15-20-18(17-13-7-8-14-19(17)20)12-6-2-5-11-16-9-3-1-4-10-16/h1-11,13-14,17-20H,12,15H2,(H,22,23)/b6-2+,11-5+/t17-,18-,19-,20+/m1/s1 |
| InChIKey |
JAGDNRCRBFUEMA-VKXNIHFLSA-N |
| Molecular Weight |
306.405 g/mol |
| SMILES |
[C@@]1([C@@]2(C=CC=C[C@@]2([C@]1(C\C=C\C=C\C=1C=CC=CC1)[H])[H])[H])(CC(=O)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974356 |
![Bicyclo[4.2.0]octa-2,4-diene-7-acetic acid, 8-(5-phenyl-2,4-pentadienyl)-, [1.alpha.,6.alpha.,7.beta.,8.alpha.(2E,4E)]-(.+-.)-](/api/spectrum/1BaoKBwY43c/structure.png?h=300&w=458 "Bicyclo[4.2.0]octa-2,4-diene-7-acetic acid, 8-(5-phenyl-2,4-pentadienyl)-, [1.alpha.,6.alpha.,7.beta.,8.alpha.(2E,4E)]-(.+-.)-")
