| SpectraBase Spectrum ID |
4JDBIDpIF7O |
| Name |
2-[(1R,2R,4S)-3-(Phenylmethyl)-3-azabicyclo[2.2.1]heptan-2-yl]-2-propanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.177964364 u |
| Formula |
C16H23NO |
| InChI |
InChI=1S/C16H23NO/c1-16(2,18)15-13-8-9-14(10-13)17(15)11-12-6-4-3-5-7-12/h3-7,13-15,18H,8-11H2,1-2H3/t13-,14?,15-/m1/s1 |
| InChIKey |
PQCGXVRSFZUENK-GIJJTGMTSA-N |
| Molecular Weight |
245.366 g/mol |
| SMILES |
[C@@]1(N(C2C[C@@]1([H])CC2)CC=1C=CC=CC1)(C(O)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889638 |
![2-[(1R,2R,4S)-3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-2-yl]-2-propanol](/api/spectrum/4JDBIDpIF7O/structure.png?h=300&w=458 "2-[(1R,2R,4S)-3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-2-yl]-2-propanol")
