| SpectraBase Spectrum ID |
8keozXjjfqa |
| Name |
Methyl 11-chloro-12-hydroxypodocarpa-8,11,13-trien-19-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.133572298 u |
| Formula |
C18H23ClO3 |
| InChI |
InChI=1S/C18H23ClO3/c1-17-9-4-10-18(2,16(21)22-3)13(17)8-6-11-5-7-12(20)15(19)14(11)17/h5,7,13,20H,4,6,8-10H2,1-3H3/t13?,17-,18+/m0/s1 |
| InChIKey |
LEGGSPRFMPHZPX-UGGKNOJYSA-N |
| Molecular Weight |
322.832 g/mol |
| SMILES |
[C@@]12(C([C@@](C(=O)OC)(C)CCC2)CCC2=C1C(=C(O)C=C2)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843787 |
