| SpectraBase Spectrum ID |
LKROe4GKP4E |
| Name |
(-)-isolongifolol, methyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.214015521 u |
| Formula |
C16H28O |
| InChI |
InChI=1S/C16H28O/c1-15(2)8-5-9-16(3)12-7-6-11(14(12)15)13(16)10-17-4/h11-14H,5-10H2,1-4H3/t11-,12-,13+,14+,16+/m0/s1 |
| InChIKey |
GDVBDGSQRFXTGJ-ZHMBSYLPSA-N |
| Molecular Weight |
236.399 g/mol |
| SMILES |
C1[C@@]2([C@@]3([C@@]([C@](C1)([C@]2(C(C)(C)CCC3)[H])[H])(COC)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952634 |
