| SpectraBase Spectrum ID |
7RZTL7jRq1W |
| Name |
Benzoic acid, 4-methoxy-3-tricyclo[3.3.1.1(3,7)]dec-1-yl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.156894565 u |
| Formula |
C18H22O3 |
| InChI |
InChI=1S/C18H22O3/c1-21-16-3-2-14(17(19)20)7-15(16)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,19,20) |
| InChIKey |
RWZRMETXJWTWQW-UHFFFAOYSA-N |
| SMILES |
C1C2(CC3CC1CC(C2)C3)C=1C=C(C=CC1OC)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866374 |
![Benzoic acid, 4-methoxy-3-tricyclo[3.3.1.1(3,7)]dec-1-yl-](/api/spectrum/7RZTL7jRq1W/structure.png?h=300&w=458 "Benzoic acid, 4-methoxy-3-tricyclo[3.3.1.1(3,7)]dec-1-yl-")
