| SpectraBase Spectrum ID |
J5Nq15SgtC1 |
| Name |
Ethyl 7-(3-(tert-butylthio)propyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO2S |
| InChI |
InChI=1S/C18H27NO2S/c1-5-21-17(20)19-15-10-6-7-11-16(19)14(13-15)9-8-12-22-18(2,3)4/h6-7,10-11,13,15-16H,5,8-9,12H2,1-4H3/t15-,16+/m0/s1 |
| InChIKey |
GGXDPRBTUQKEDJ-JKSUJKDBSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
321.479 g/mol |
| Reported Formula |
C18H27NO2S |
| SMILES |
[C@]12(N([C@](C=C2CCCSC(C)(C)C)(C=CC=C1)[H])C(=O)OCC)[H] |
| SPLASH |
splash10-052f-9830000000-bc256b2040f746d2ae31 |
| Source of Spectrum |
U1-2020-SM7-3af |
| Thin-Layer Chromatography |
Rf = 0.51 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858959 |
![Ethyl 7-(3-(tert-butylthio)propyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/J5Nq15SgtC1/structure.png?h=300&w=458 "Ethyl 7-(3-(tert-butylthio)propyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
