| SpectraBase Spectrum ID |
HAZt13YUdDw |
| Name |
(1R)-1-[(1S)-1,2-Dihydroxyethyl]-5-[(tetrahydropyran-2-yl)oxy]pent-3(E)-enyl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.172938551 u |
| Formula |
C19H26O6 |
| InChI |
InChI=1S/C19H26O6/c20-14-16(21)17(25-19(22)15-8-2-1-3-9-15)10-4-6-12-23-18-11-5-7-13-24-18/h1-4,6,8-9,16-18,20-21H,5,7,10-14H2/b6-4+/t16-,17+,18?/m0/s1 |
| InChIKey |
RRUKYEBMAGLDAL-HJIOAIDJSA-N |
| Molecular Weight |
350.411 g/mol |
| SMILES |
C(O[C@@]([C@@](O)(CO)[H])(C\C=C\COC1OCCCC1)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871179 |
![(1R)-1-[(1S)-1,2-Dihydroxyethyl]-5-[(tetrahydropyran-2-yl)oxy]pent-3(E)-enyl benzoate](/api/spectrum/HAZt13YUdDw/structure.png?h=300&w=458 "(1R)-1-[(1S)-1,2-Dihydroxyethyl]-5-[(tetrahydropyran-2-yl)oxy]pent-3(E)-enyl benzoate")
