| SpectraBase Spectrum ID |
A1ca7TsU7Lw |
| Name |
Naphtho[2,1-B]furan, 3A-(1,3-dioxolan-2-yl)dodecahydro-6,6,9A-trimethyl-2-(phenylthio)-, [2S-(2.alpha.,3A.beta.,5A.alpha.,9A.beta.,9B.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.222866126 u |
| Formula |
C24H34O3S |
| InChI |
InChI=1S/C24H34O3S/c1-22(2)11-7-12-23(3)18(22)10-13-24(21-25-14-15-26-21)19(23)16-20(27-24)28-17-8-5-4-6-9-17/h4-6,8-9,18-21H,7,10-16H2,1-3H3/t18-,19+,20-,23-,24+/m0/s1 |
| InChIKey |
ZFFJMEBPYMADKZ-RBBNJCGNSA-N |
| Molecular Weight |
402.593 g/mol |
| SMILES |
[C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(C[C@@](O1)(SC=1C=CC=CC1)[H])[H])C1OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881834 |
![Naphtho[2,1-b]furan, 3a-(1,3-dioxolan-2-yl)dodecahydro-6,6,9a-trimethyl-2-(phenylthio)-, [2S-(2.alpha.,3a.beta.,5a.alpha.,9a.beta.,9b.alpha.)]-](/api/spectrum/A1ca7TsU7Lw/structure.png?h=300&w=458 "Naphtho[2,1-b]furan, 3a-(1,3-dioxolan-2-yl)dodecahydro-6,6,9a-trimethyl-2-(phenylthio)-, [2S-(2.alpha.,3a.beta.,5a.alpha.,9a.beta.,9b.alpha.)]-")
