| SpectraBase Spectrum ID |
nbzZTJWYJT |
| Name |
(4R,5R)-4-[(E)-6-(Benzyloxy)-hex-3-enyl]-2,2,5-trimethyl-1,3-dioxan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.219494823 u |
| Formula |
C20H30O3 |
| InChI |
InChI=1S/C20H30O3/c1-17-15-22-20(2,3)23-19(17)13-9-4-5-10-14-21-16-18-11-7-6-8-12-18/h4-8,11-12,17,19H,9-10,13-16H2,1-3H3/b5-4+ |
| InChIKey |
AACBUJCCYDUUSS-SNAWJCMRSA-N |
| Molecular Weight |
318.457 g/mol |
| SMILES |
C1=CC=C(C=C1)COCC\C=C\CCC1OC(OCC1C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847199 |
![(4R,5R)-4-[(E)-6-(Benzyloxy)-hex-3-enyl]-2,2,5-trimethyl-1,3-dioxan](/api/spectrum/nbzZTJWYJT/structure.png?h=300&w=458 "(4R,5R)-4-[(E)-6-(Benzyloxy)-hex-3-enyl]-2,2,5-trimethyl-1,3-dioxan")
