| SpectraBase Spectrum ID |
LjGHdzyEFw2 |
| Name |
Methyl-(3-bromoquinoline-2-carbonyl)-alaninate |
| Appearance |
Pale yellow solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.010955284 u |
| Formula |
C14H13BrN2O3 |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C14H13BrN2O3/c1-8(14(19)20-2)16-13(18)12-10(15)7-9-5-3-4-6-11(9)17-12/h3-8H,1-2H3,(H,16,18)/t8-/m0/s1 |
| InChIKey |
FAMLDEHQYHLYFX-QMMMGPOBSA-N |
| Instrument Name |
Shimadzu GCMS-2020 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202201374 |
| Molecular Weight |
337.173 g/mol |
| Optical Rotation |
[a]D20 = +83 (c = 1.2, CHCl3) |
| Quality |
260 |
| Reported Formula |
C14H13BrN2O3 |
| SMILES |
N([C@@](C)(C(=O)OC)[H])C(=O)C1=NC2=CC=CC=C2C=C1Br |
| SPLASH |
splash10-004i-1490000000-2ff2a22d1a5e9b9dd070 |
| Source of Spectrum |
K1-26-SM7-2a (DOI: 10.1002/ejoc.202201374) |
| Thin-Layer Chromatography |
0.65 (CHCl3/EtOAc, 98:2) |
| Wiley ID |
1910399 |
