| SpectraBase Spectrum ID |
C1XEYW7H684 |
| Name |
(1S,2R,11S,12S)-5-thia-3,9-diazatetracyclo[10.2.1.0(2,11).0(4,9)]pentadec-3-en-10-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16N2OS |
| InChI |
InChI=1S/C12H16N2OS/c15-11-9-7-2-3-8(6-7)10(9)13-12-14(11)4-1-5-16-12/h7-10H,1-6H2/t7-,8+,9+,10-/m1/s1 |
| InChIKey |
NEQLYLRVYKFICQ-XFWSIPNHSA-N |
| Instrument Name |
VG Analytical 7070E |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002_(SICI)1097-0231(199604)10_6_721 |
| Molecular Weight |
236.333 g/mol |
| SMILES |
C1[C@]2(C[C@@](C1)([C@]1([C@@]2(N=C2N(C1=O)CCCS2)[H])[H])[H])[H] |
| SPLASH |
splash10-0670-0790000000-3a1bf1e29ab045268da9 |
| Sample Comments |
Endo-isomer |
| Source of Spectrum |
RCM-10-722-18 |
| Wiley ID |
1836039 |
![(1S,2R,11S,12S)-5-thia-3,9-diazatetracyclo[10.2.1.0(2,11).0(4,9)]pentadec-3-en-10-one](/api/spectrum/C1XEYW7H684/structure.png?h=300&w=458 "(1S,2R,11S,12S)-5-thia-3,9-diazatetracyclo[10.2.1.0(2,11).0(4,9)]pentadec-3-en-10-one")
