| SpectraBase Spectrum ID |
4S8uYmmvN7u |
| Name |
(4S,5S)-5-Benzyloxymethyl-2,2,4-trimethyl-4-(2,5-dimethoxy-3,4,6-trimethylphenylethyl)-1,3-dioxolane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.271924319 u |
| Formula |
C27H38O5 |
| InChI |
InChI=1S/C27H38O5/c1-18-19(2)25(29-8)22(20(3)24(18)28-7)14-15-27(6)23(31-26(4,5)32-27)17-30-16-21-12-10-9-11-13-21/h9-13,23H,14-17H2,1-8H3/t23-,27-/m0/s1 |
| InChIKey |
KSHRQLUIYKNMQG-HOFKKMOUSA-N |
| Molecular Weight |
442.596 g/mol |
| SMILES |
C1(=C(C(C)=C(C(=C1C)OC)C)OC)CC[C@@]1(OC(C)(C)O[C@]1(COCC=1C=CC=CC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92415 |
