| SpectraBase Spectrum ID |
93ZTtcp4LOJ |
| Name |
(Z)-24-Acetoxy-2,3-dihydro-neomanoalide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.303224447 u |
| Formula |
C27H42O5 |
| InChI |
InChI=1S/C27H42O5/c1-19(11-13-24-20(2)9-7-15-27(24,4)5)8-6-10-22(17-28)12-14-25-23(16-26(30)32-25)18-31-21(3)29/h8,12,23,25,28H,6-7,9-11,13-18H2,1-5H3/b19-8+,22-12- |
| InChIKey |
AEMIGGGCSCGRHD-QLHXWLSUSA-N |
| Molecular Weight |
446.628 g/mol |
| SMILES |
C1(=C(CCCC1(C)C)C)CC\C(=C\CC\C(=C\CC1OC(=O)CC1COC(=O)C)CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897608 |
