| SpectraBase Spectrum ID |
8jInptVK6HJ |
| Name |
(Z)-(2S,3S)-2,3-Dihydro-2,3-o-isopropylidene-5-undecenal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.172544630 u |
| Formula |
C14H24O3 |
| InChI |
InChI=1S/C14H24O3/c1-4-5-6-7-8-9-10-12-13(11-15)17-14(2,3)16-12/h8-9,11-13H,4-7,10H2,1-3H3/b9-8-/t12-,13+/m0/s1 |
| InChIKey |
VHNCSLYDBDDQNX-GFUJYOBASA-N |
| Molecular Weight |
240.343 g/mol |
| SMILES |
C1(O[C@](C=O)([C@@](O1)(C\C=C/CCCCC)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887614 |
