| SpectraBase Spectrum ID |
EM97ScgHqe5 |
| Name |
(4as,5S,6S,8as)-5-(2-Benzyloxy-ethyl)-6-tert-butoxy-2,2,5-trimethyl-hexahydro-benzo[1,3]dioxine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-22(2,3)28-21-13-12-20-19(17-26-23(4,5)27-20)24(21,6)14-15-25-16-18-10-8-7-9-11-18/h7-11,19-21H,12-17H2,1-6H3/t19-,20-,21-,24-/m0/s1 |
| InChIKey |
TXGWDSZEFDCQHN-CIEVZJJWSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
[C@]12([C@@]([C@@](OC(C)(C)C)(CC[C@@]1(OC(OC2)(C)C)[H])[H])(CCOCC1=CC=CC=C1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905114 |
![(4as,5S,6S,8as)-5-(2-Benzyloxy-ethyl)-6-tert-butoxy-2,2,5-trimethyl-hexahydro-benzo[1,3]dioxine](/api/spectrum/EM97ScgHqe5/structure.png?h=300&w=458 "(4as,5S,6S,8as)-5-(2-Benzyloxy-ethyl)-6-tert-butoxy-2,2,5-trimethyl-hexahydro-benzo[1,3]dioxine")
