| SpectraBase Spectrum ID |
tJQdw9rjKD |
| Name |
(4as,7R,8ar)-4A-Methyl-7-(1-methylethenyl)-6,7,8,8A-tetrahydro-5H-1,4-benzoxathiin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.107836373 u |
| Formula |
C12H18OS |
| InChI |
InChI=1S/C12H18OS/c1-9(2)10-4-5-12(3)11(8-10)13-6-7-14-12/h6-7,10-11H,1,4-5,8H2,2-3H3/t10-,11-,12+/m1/s1 |
| InChIKey |
BOVGQYOWLXHYSX-UTUOFQBUSA-N |
| Molecular Weight |
210.335 g/mol |
| SMILES |
C=1O[C@]2([C@@](SC1)(CC[C@](C2)(C(=C)C)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803336 |
