| SpectraBase Spectrum ID |
LqMJhZyFc2F |
| Name |
(1S,4S,7S,10R)-2-Oxo-3,12-diaza-tricyclo[8.2.1.0(3,7)]tridec-8-ene-4,12-dicarboxylic acid di-tert-butyl ester |
| Appearance |
Colorless solid |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32N2O5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C21H32N2O5/c1-20(2,3)27-18(25)15-10-9-14-8-7-13-11-16(17(24)23(14)15)22(12-13)19(26)28-21(4,5)6/h7-8,13-16H,9-12H2,1-6H3/b8-7-/t13-,14+,15-,16-/m0/s1 |
| InChIKey |
AWLPDNJKOSBCRM-OSQUKCBFSA-N |
| Instrument Name |
Agilent HP6890-5937N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbic.202200372 |
| Molecular Weight |
392.496 g/mol |
| Optical Rotation |
[a]D20 = 81.15 (c = 0.145, CHCl3) |
| Reported Formula |
C21H32N2O5 |
| SMILES |
C1N([C@]2(C[C@@]1(\C=C/[C@]1(N(C2=O)[C@@](CC1)(C(OC(C)(C)C)=O)[H])[H])[H])[H])C(=O)OC(C)(C)C |
| SPLASH |
splash10-0a4i-9450000000-29244bcb7cf547d1790d |
| Source of Spectrum |
CBC-23-SM7-Boc[ProM-5]OtBu |
| Thin-Layer Chromatography |
Rf = 0.19 (EtOAc/cHex 1:1) |
| Wiley ID |
1876088 |
![(1S,4S,7S,10R)-2-Oxo-3,12-diaza-tricyclo[8.2.1.0(3,7)]tridec-8-ene-4,12-dicarboxylic acid di-tert-butyl ester](/api/spectrum/LqMJhZyFc2F/structure.png?h=300&w=458 "(1S,4S,7S,10R)-2-Oxo-3,12-diaza-tricyclo[8.2.1.0(3,7)]tridec-8-ene-4,12-dicarboxylic acid di-tert-butyl ester")
