| SpectraBase Spectrum ID |
LWCK8cAp7mE |
| Name |
(+,-)-(3.alpha.,3A.alpha.,7.alpha.,7A.beta.)-3A,4,7,7A-tetrahydro-3-(2-phenylethenyl)-7-methyl-2(3H)-benzofuranone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.130679818 u |
| Formula |
C17H18O2 |
| InChI |
InChI=1S/C17H18O2/c1-12-6-5-9-14-15(17(18)19-16(12)14)11-10-13-7-3-2-4-8-13/h2-8,10-12,14-16H,9H2,1H3/b11-10+/t12-,14+,15+,16-/m1/s1 |
| InChIKey |
WLELJMFHLBYGQW-QAOFBRSOSA-N |
| Molecular Weight |
254.329 g/mol |
| SMILES |
C1(O[C@]2([C@]([C@@]1(\C=C\C=1C=CC=CC1)[H])(CC=C[C@]2(C)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8228 |
