| SpectraBase Spectrum ID |
LUdR5GJ1vXV |
| Name |
(R)-bis(3,5-Diisopropylphenyl)(pyrrolidin-2-yl)methanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.334465008 u |
| Formula |
C29H43NO |
| InChI |
InChI=1S/C29H43NO/c1-18(2)22-12-23(19(3)4)15-26(14-22)29(31,28-10-9-11-30-28)27-16-24(20(5)6)13-25(17-27)21(7)8/h12-21,28,30-31H,9-11H2,1-8H3/t28-/m1/s1 |
| InChIKey |
FRAXZWANIPPTDN-MUUNZHRXSA-N |
| Molecular Weight |
421.669 g/mol |
| SMILES |
C1N[C@](CC1)(C(C=1C=C(C=C(C(C)C)C1)C(C)C)(C=1C=C(C=C(C1)C(C)C)C(C)C)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880686 |
