| SpectraBase Spectrum ID |
K463SUIU970 |
| Name |
(2R,4as,7R,8ar)-(-)-2-(3'-hydroxy-4'-methoxyphenyl)-9,9-dimethyltetrahydro-5H-4A,7-methano-4H-1,3-benzoxathiane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.144615804 u |
| Formula |
C18H24O3S |
| InChI |
InChI=1S/C18H24O3S/c1-17(2)12-6-7-18(17)10-22-16(21-15(18)9-12)11-4-5-14(20-3)13(19)8-11/h4-5,8,12,15-16,19H,6-7,9-10H2,1-3H3/t12-,15-,16+,18+/m1/s1 |
| InChIKey |
IFPUUQMSZGAYIM-ANRZDRKOSA-N |
| Molecular Weight |
320.447 g/mol |
| SMILES |
[C@]123[C@](O[C@@](SC3)(C3=CC(O)=C(C=C3)OC)[H])(C[C@](C2(C)C)(CC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909477 |
