| SpectraBase Spectrum ID |
3C0LiRMncHs |
| Name |
(+)-(S)-1-[(acetoxy)methyl]-2-([(4E,6E,8E)-dodeca-4,6,8-trienyl]oxy)ethyl 4-acetoxybenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.199153299 u |
| Formula |
C24H30O7 |
| InChI |
InChI=1S/C24H30O7/c1-4-5-6-7-8-9-10-11-16-28-17-23(18-29-19(2)25)31-24(27)21-12-14-22(15-13-21)30-20(3)26/h6-15,23H,4-5,16-18H2,1-3H3/b7-6+,9-8-,11-10+/t23-/m0/s1 |
| InChIKey |
GNVGZIUHFJXCGB-WBQQEUFZSA-N |
| Molecular Weight |
430.497 g/mol |
| SMILES |
C(OC[C@@](COC(C)=O)(OC(C1=CC=C(C=C1)OC(C)=O)=O)[H])\C=C\C=C/C=C/CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921899 |
![(+)-(S)-1-[(acetoxy)methyl]-2-([(4E,6E,8E)-dodeca-4,6,8-trienyl]oxy)ethyl 4-acetoxybenzoate](/api/spectrum/3C0LiRMncHs/structure.png?h=300&w=458 "(+)-(S)-1-[(acetoxy)methyl]-2-([(4E,6E,8E)-dodeca-4,6,8-trienyl]oxy)ethyl 4-acetoxybenzoate")
