| SpectraBase Spectrum ID |
8Gb9a4xIk8O |
| Name |
3,7-Diacetoxy-9,10-benzo-tricyclo(3.3.2.0*2,8)dec-9-ene,identification tentative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.136159120 u |
| Formula |
C18H20O4 |
| InChI |
InChI=1S/C18H20O4/c1-9(19)21-14-7-11-8-15(22-10(2)20)18-16(17(14)18)13-6-4-3-5-12(11)13/h3-6,11,14-18H,7-8H2,1-2H3/t11-,14-,15-,16+,17+,18+/m0/s1 |
| InChIKey |
OXQQPAFKEDGEJC-NAJMEWCQSA-N |
| Molecular Weight |
300.354 g/mol |
| SMILES |
[C@]12([C@]3([C@](C[C@](C4=C2C=CC=C4)(C[C@@]([C@]13[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831084 |
