| SpectraBase Spectrum ID |
L29R8Naf1Xm |
| Name |
Spirovetiva-3,7(11)-dien-12-yl-methyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.198365456 u |
| Formula |
C16H26O |
| InChI |
InChI=1S/C16H26O/c1-12(11-17-4)15-8-9-16(10-15)13(2)6-5-7-14(16)3/h6,14H,5,7-11H2,1-4H3/b15-12+/t14-,16+/m1/s1 |
| InChIKey |
KBMCUYFXPKAOSR-OVRLFXSLSA-N |
| Molecular Weight |
234.383 g/mol |
| SMILES |
[C@@]12([C@@](CCC=C2C)(C)[H])CC\C(=C\(C)COC)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885244 |
