| SpectraBase Spectrum ID |
2JGwYEFxkd3 |
| Name |
(4R,5S)-2,2,5-Trimethyl-4-[(4S)-5-methyl-4-phenylmethoxy-hexyl]-1,3-dioxane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-16(2)19(22-15-18-10-7-6-8-11-18)12-9-13-20-17(3)14-23-21(4,5)24-20/h6-8,10-11,16-17,19-20H,9,12-15H2,1-5H3/t17-,19-,20+/m0/s1 |
| InChIKey |
DJGOPEVUMVGBLW-YSIASYRMSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
C1(O[C@@]([C@](CO1)(C)[H])(CCC[C@](OCC=1C=CC=CC1)(C(C)C)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884323 |
![(4R,5S)-2,2,5-trimethyl-4-[(4S)-5-methyl-4-phenylmethoxy-hexyl]-1,3-dioxane](/api/spectrum/2JGwYEFxkd3/structure.png?h=300&w=458 "(4R,5S)-2,2,5-trimethyl-4-[(4S)-5-methyl-4-phenylmethoxy-hexyl]-1,3-dioxane")
