| SpectraBase Spectrum ID |
4Lp8TD3fMQt |
| Name |
(2S,4R)-Di-tert-butyl-4-(but-2-yn-1-yl)-5-oxopyrrolidin-1,2-dicarboxylate |
| Appearance |
White crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.188922968 u |
| Formula |
C18H27NO5 |
| InChI |
InChI=1S/C18H27NO5/c1-8-9-10-12-11-13(15(21)23-17(2,3)4)19(14(12)20)16(22)24-18(5,6)7/h12-13H,10-11H2,1-7H3/t12-,13+/m1/s1 |
| InChIKey |
STQIMSRQVWPYLI-OLZOCXBDSA-N |
| Instrument Name |
Agilent HP 6890N-5973N GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201701584 |
| Molecular Weight |
337.416 g/mol |
| Optical Rotation |
[a]D20 = -14.7 (589 nm), -15.1 (579 nm), -16.3 (546 nm), -22.2 (436 nm) (c = 1.030, CHCl3) |
| Quality |
80 |
| SMILES |
C1(N([C@@](C[C@]1(CC#CC)[H])(C(=O)OC(C)(C)C)[H])C(=O)OC(C)(C)C)=O |
| SPLASH |
splash10-0a4i-1190000000-861c7bc124f0f93a8c3c |
| Source of Spectrum |
K1-2018-SM9-trans-6g (DOI: 10.1002/ejoc.201701584) |
| Thin-Layer Chromatography |
0.59 (EtOAc/CyHex, 1:2) |
| Wiley ID |
1891802 |
