![(3S,3aS,6aR)-1-(phenylmethyl)-3-(1-phenylsulfanylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole](/api/spectrum/Ask2EAzWUjR/structure.png?h=300&w=458 "(3S,3aS,6aR)-1-(phenylmethyl)-3-(1-phenylsulfanylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole")
| SpectraBase Compound ID | 3Hla45maM4n |
|---|---|
| InChI | InChI=1S/C21H23NOS/c1-16(24-18-11-6-3-7-12-18)21-19-13-8-14-20(19)22(23-21)15-17-9-4-2-5-10-17/h2-7,9-12,19-21H,1,8,13-15H2/t19-,20+,21+/m0/s1 |
| InChIKey | FPRCXENNROVPKZ-PWRODBHTSA-N |
| Mol Weight | 337.48 g/mol |
| Molecular Formula | C21H23NOS |
| Exact Mass | 337.150036 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ask2EAzWUjR |
|---|---|
| Name | (3S,3aS,6aR)-1-(phenylmethyl)-3-(1-phenylsulfanylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H23NOS |
| InChI | InChI=1S/C21H23NOS/c1-16(24-18-11-6-3-7-12-18)21-19-13-8-14-20(19)22(23-21)15-17-9-4-2-5-10-17/h2-7,9-12,19-21H,1,8,13-15H2/t19-,20+,21+/m0/s1 |
| InChIKey | FPRCXENNROVPKZ-PWRODBHTSA-N |
| Molecular Weight | 337.481 g/mol |
| SMILES | [C@]1(ON([C@]2([C@@]1(CCC2)[H])[H])Cc1ccccc1)(C(Sc1ccccc1)=C)[H] |
| SPLASH | splash10-002o-9452000000-559390f93984c94d8715 |
| Source of Spectrum | QA-45-168-7 |
| Synonyms | (3S,3aS,6aR)-1-(phenylmethyl)-3-[1-(phenylthio)ethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole (3S,3aS,6aR)-1-benzyl-3-(1-phenylsulfanylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole (3S,3aS,6aR)-1-benzyl-3-(1-phenylsulfanylvinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole (3S,3aS,6aR)-1-benzyl-3-[1-(phenylthio)vinyl]-3,3a,4,5,6,6a-hexahydrocyclopent[c]isoxazole |
| Wiley ID | 862727 |