| SpectraBase Spectrum ID |
AilK8458dvn |
| Name |
Naphtho[2,1-B]furan, dodecahydro-2-(2-iodo-1-methylethyl)-3A,6,6-9A-tetramethyl-, [2S[2.alpha.(R*),3A.alpha.,5A.beta.,9A.alpha.,9B.beta.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.157610682 u |
| Formula |
C19H33IO |
| InChI |
InChI=1S/C19H33IO/c1-13(12-20)14-11-16-18(4)9-6-8-17(2,3)15(18)7-10-19(16,5)21-14/h13-16H,6-12H2,1-5H3/t13?,14-,15-,16+,18-,19+/m0/s1 |
| InChIKey |
CQBMTSRRIHFVKQ-AWYAJGHPSA-N |
| Molecular Weight |
404.376 g/mol |
| SMILES |
[C@]12([C@@]3([C@@](O[C@@](C3)(C(CI)C)[H])(C)CC[C@]1(C(C)(C)CCC2)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953763 |
![naphtho[2,1-b]furan, dodecahydro-2-(2-iodo-1-methylethyl)-3a,6,6-9a-tetramethyl-, [2S[2.alpha.(R*),3a.alpha.,5a.beta.,9a.alpha.,9b.beta.]]-](/api/spectrum/AilK8458dvn/structure.png?h=300&w=458 "naphtho[2,1-b]furan, dodecahydro-2-(2-iodo-1-methylethyl)-3a,6,6-9a-tetramethyl-, [2S[2.alpha.(R*),3a.alpha.,5a.beta.,9a.alpha.,9b.beta.]]-")
