| SpectraBase Spectrum ID |
DkQb32U6GoY |
| Name |
(1S*,1'S*)-1-(1-Allyl-2,2-ethylenedioxycycloheptan-1-yl)prop-2-en-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.172544630 u |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c1-3-8-14(13(16)4-2)9-6-5-7-10-15(14)17-11-12-18-15/h3-4,13,16H,1-2,5-12H2/t13-,14+/m0/s1 |
| InChIKey |
PWDQECCNVWLHMQ-UONOGXRCSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
[C@@]1(C2(OCCO2)CCCCC1)([C@](C=C)(O)[H])CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817427 |
