| SpectraBase Spectrum ID |
2dmqRPjve1f |
| Name |
Benzoic acid, 4-amino-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.172878983 u |
| Formula |
C18H23NO2 |
| InChI |
InChI=1S/C18H23NO2/c19-16-3-1-15(2-4-16)17(20)21-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11,19H2/t12-,13+,14-,18- |
| InChIKey |
AKZAFEKEAUUIHN-WXZYKRPKSA-N |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])COC(C1=CC=C(C=C1)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840182 |
![Benzoic acid, 4-amino-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester](/api/spectrum/2dmqRPjve1f/structure.png?h=300&w=458 "Benzoic acid, 4-amino-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester")
