| SpectraBase Spectrum ID |
HhZLgZAKYE8 |
| Name |
8,12-Epoxy-13,14,15,16,17-pentanorlabdane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-14(2)8-4-9-15(3)11-7-10-16-12(11)5-6-13(14)15/h11-13H,4-10H2,1-3H3/t11?,12-,13?,15-/m1/s1 |
| InChIKey |
IPEPBOBQYDJNON-HNQLUHSGSA-N |
| Molecular Weight |
222.372 g/mol |
| SMILES |
[C@]12(OCCC2[C@@]2(C(C(C)(C)CCC2)CC1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888595 |
