| SpectraBase Spectrum ID |
GZoErHEIKNe |
| Name |
4,7-Methano-4H-cyclohepta[b]thiophene-4-carboxylic acid, octahydro-3,3,6-trimethyl-, methyl ester, (3a.alpha.,4.beta.,6.alpha.,7.alpha.,8a.beta.)- |
| CAS Registry Number |
119220-81-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24O2S |
| InChI |
InChI=1S/C15H24O2S/c1-9-6-15(13(16)17-4)7-10(9)5-11-12(15)14(2,3)8-18-11/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-,15-/m0/s1 |
| InChIKey |
RFOCMABDGCQZSU-VSBZFQJLSA-N |
| Molecular Weight |
268.415 g/mol |
| SMILES |
[C@@]12([C@]3([C@](SCC3(C)C)([H])C[C@](C1)([H])[C@](C2)(C)[H])[H])C(=O)OC |
| SPLASH |
splash10-01b9-0090000000-85a951cb4a557268f6ed |
| Source of Spectrum |
H-71-505-10 |
| Synonyms |
methyl (1S,2R,6S,8R,9S)-3,3,9-trimethyl-5-thiatricyclo[6.2.1.0(2,6)]undecane-1-carboxylate
Methyl 3,3,9-exo-trimethyl-5-thiatricyclo[6.2.1.0(2,6)]undecane-1-carboxylate |
| Wiley ID |
1272138 |
![4,7-Methano-4H-cyclohepta[b]thiophene-4-carboxylic acid, octahydro-3,3,6-trimethyl-, methyl ester, (3a.alpha.,4.beta.,6.alpha.,7.alpha.,8a.beta.)-](/api/spectrum/GZoErHEIKNe/structure.png?h=300&w=458 "4,7-Methano-4H-cyclohepta[b]thiophene-4-carboxylic acid, octahydro-3,3,6-trimethyl-, methyl ester, (3a.alpha.,4.beta.,6.alpha.,7.alpha.,8a.beta.)-")
