| SpectraBase Spectrum ID |
4LjkLISnSy1 |
| Name |
5H-3,5A-Epoxynaphth[2,1-C]oxepin, dodecahydro-3,8,8,11A-tetramethyl-, [3R-(3.alpha.,5A.alpha.,7A.alpha.,11A.beta.,11B.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.224580204 u |
| Formula |
C18H30O2 |
| InChI |
InChI=1S/C18H30O2/c1-15(2)8-5-9-18-12-19-17(4)11-7-14(18)16(3,20-17)10-6-13(15)18/h13-14H,5-12H2,1-4H3/t13-,14-,16+,17-,18+/m1/s1 |
| InChIKey |
ARLDMXXDWRMZRP-YGTYDBBMSA-N |
| SMILES |
[C@@]123[C@]4([C@](O[C@](OC3)(C)CC4)(C)CC[C@@]2(C(C)(C)CCC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858084 |
![5H-3,5a-Epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl-, [3R-(3.alpha.,5a.alpha.,7a.alpha.,11a.beta.,11b.alpha.)]-](/api/spectrum/4LjkLISnSy1/structure.png?h=300&w=458 "5H-3,5a-Epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl-, [3R-(3.alpha.,5a.alpha.,7a.alpha.,11a.beta.,11b.alpha.)]-")
