| SpectraBase Spectrum ID |
KWwZn6dwYM7 |
| Name |
[(1S,2R,5S )-3-Oxo-4-methyl-2-(phenylethoxy)-8-oxabicyclo[3.2.1]oct-6-en-6-yl] benzenecarbothioate |
| Comments |
Note: The molecular formula of the structure shown is C23H22O4S - which differs from the formula reported for the mass spectrum (C15H14O4S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14O4S |
| InChI |
InChI=1S/C23H22O4S/c1-15-20(24)22(25-13-12-16-8-4-2-5-9-16)19-14-18(21(15)26-19)27-23(28)17-10-6-3-7-11-17/h2-11,14-15,19,21-22H,12-13H2,1H3/t15?,19-,21-,22+/m0/s1 |
| InChIKey |
ASRXQSURFZHMAV-CNMCWOAUSA-N |
| Molecular Weight |
394.485 g/mol |
| SMILES |
c1(ccccc1)C(OC=1[C@@]2(C(C([C@@]([C@](C1)(O2)[H])(OCCc1ccccc1)[H])=O)C)[H])=S |
| SPLASH |
splash10-0a4i-1900000000-db5ce8478a10b5b78d53 |
| Source of Spectrum |
OL-2-885-13 |
| Synonyms |
(1S,2R)-S-[3'-Oxo-4'-methyl-2'-(phenylethoxy)-8'-oxabicyclo[3.2.1]oct-6'-en-6'-yl]benzene-carbothioate |
| Wiley ID |
1547479 |
![[(1S,2R,5S )-3-Oxo-4-methyl-2-(phenylethoxy)-8-oxabicyclo[3.2.1]oct-6-en-6-yl] benzenecarbothioate](/api/spectrum/KWwZn6dwYM7/structure.png?h=300&w=458 "[(1S,2R,5S )-3-Oxo-4-methyl-2-(phenylethoxy)-8-oxabicyclo[3.2.1]oct-6-en-6-yl] benzenecarbothioate")
