| SpectraBase Spectrum ID |
1rcWq4QVHZS |
| Name |
14,15-Dinor-17-acetoxy-7-labden-13-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.235144887 u |
| Formula |
C20H32O3 |
| InChI |
InChI=1S/C20H32O3/c1-14-7-10-18-19(3,4)11-6-12-20(18,5)17(14)9-8-16(22)13-23-15(2)21/h7,17-18H,6,8-13H2,1-5H3/t17-,18?,20+/m0/s1 |
| InChIKey |
XZQQXTUYLTURQZ-NKUTVCTDSA-N |
| Molecular Weight |
320.473 g/mol |
| SMILES |
[C@]12(C(CC=C([C@@]2(CCC(=O)COC(=O)C)[H])C)C(C)(C)CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824309 |
