| SpectraBase Spectrum ID |
bKaImnulHT |
| Name |
dl-3-o-Allyl-1,2;4,5-di-o-isopropylidene-myo-inositol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.157288487 u |
| Formula |
C15H24O6 |
| InChI |
InChI=1S/C15H24O6/c1-6-7-17-11-12-9(18-14(2,3)20-12)8(16)10-13(11)21-15(4,5)19-10/h6,8-13,16H,1,7H2,2-5H3/t8-,9-,10+,11-,12-,13-/m1/s1 |
| InChIKey |
HKGDSQDSVHWIEX-OJEZURLMSA-N |
| SMILES |
[C@]12([C@]([C@](OCC=C)([C@]3([C@]([C@]2(O)[H])(OC(C)(C)O3)[H])[H])[H])(OC(O1)(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940038 |
