| SpectraBase Spectrum ID |
5P3TETY81gK |
| Name |
13,13-(Ethylenedioxy)-15,16,17-trinor-labd-6-en-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-17(2)9-5-10-18(3)14(15(20)6-7-16(17)18)8-11-19(4)21-12-13-22-19/h6-7,14,16H,5,8-13H2,1-4H3/t14-,16?,18+/m0/s1 |
| InChIKey |
LWSDUBBBIHYUOY-GVVCSIHDSA-N |
| SMILES |
[C@]12(C(C=CC([C@@]2(CCC2(OCCO2)C)[H])=O)C(C)(C)CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898154 |
