| SpectraBase Spectrum ID |
JQftNXNpr7S |
| Name |
(4S)-4-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]pentanoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.151809184 u |
| Formula |
C12H22O4 |
| InChI |
InChI=1S/C12H22O4/c1-5-14-11(13)7-6-9(2)10-8-15-12(3,4)16-10/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1 |
| InChIKey |
KHTPCRSISAOUPL-VHSXEESVSA-N |
| Molecular Weight |
230.304 g/mol |
| SMILES |
C1(O[C@](CO1)([C@](CCC(=O)OCC)(C)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98692 |
![(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentanoic acid ethyl ester](/api/spectrum/JQftNXNpr7S/structure.png?h=300&w=458 "(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentanoic acid ethyl ester")
