| SpectraBase Spectrum ID |
1Yj9DC4JPtf |
| Name |
(R)-1-((4R,5S)-5-(Benzylamino)-2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethoxyethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.188922968 u |
| Formula |
C17H27NO5 |
| InChI |
InChI=1S/C17H27NO5/c1-17(2)22-11-13(18-10-12-8-6-5-7-9-12)15(23-17)14(19)16(20-3)21-4/h5-9,13-16,18-19H,10-11H2,1-4H3/t13-,14+,15+/m0/s1 |
| InChIKey |
YCOMVNUIYXUINN-RRFJBIMHSA-N |
| Molecular Weight |
325.405 g/mol |
| SMILES |
C1OC(C)(C)O[C@@]([C@](C(OC)OC)(O)[H])([C@]1(NCC1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95547 |
