| SpectraBase Spectrum ID |
GXN1KIZopSh |
| Name |
Methyl 8,13-epoxy-labd-14-en-19-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-7-18(2)13-9-16-19(3)11-8-12-20(4,17(22)23-6)15(19)10-14-21(16,5)24-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16-,18+,19+,20+,21-/m1/s1 |
| InChIKey |
HFWSHEGCAPRVLI-BJLLYVFTSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
[C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CC[C@@]2([C@@]1(CC[C@@](C=C)(C)O2)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950578 |
