| SpectraBase Spectrum ID |
9HjY829XImB |
| Name |
(1'R(*),2'E,3R(*),4R(*))-3-t-butoxy-4-[1'-(t-butylthio)oct-2'-enyl]cyclopentanone |
| CAS Registry Number |
113890-55-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H38O2S |
| InChI |
InChI=1S/C21H38O2S/c1-8-9-10-11-12-13-19(24-21(5,6)7)17-14-16(22)15-18(17)23-20(2,3)4/h12-13,17-19H,8-11,14-15H2,1-7H3/b13-12+/t17-,18-,19-/m1/s1 |
| InChIKey |
AEYOVQUDJFBLER-UJDRWXGJSA-N |
| Molecular Weight |
354.593 g/mol |
| SMILES |
[C@]1([C@]([C@](SC(C)(C)C)(\C=C\CCCCC)[H])(CC(C1)=O)[H])(OC(C)(C)C)[H] |
| SPLASH |
splash10-0a4i-9020000000-cfaf7e9fe80aa002117a |
| Source of Spectrum |
B-40-959-22 |
| Synonyms |
(3R,4R)-3-tert-butoxy-4-[(1R,2E)-1-(tert-butylsulfanyl)-2-octenyl]cyclopentanone |
| Wiley ID |
1344797 |
![(1'R(*),2'E,3R(*),4R(*))-3-t-butoxy-4-[1'-(t-butylthio)oct-2'-enyl]cyclopentanone](/api/spectrum/9HjY829XImB/structure.png?h=300&w=458 "(1'R(*),2'E,3R(*),4R(*))-3-t-butoxy-4-[1'-(t-butylthio)oct-2'-enyl]cyclopentanone")
