| SpectraBase Spectrum ID |
11ngM2SVd0g |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclopentyl 2-nitrobenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.095022582 u |
| Formula |
C14H15NO5 |
| InChI |
InChI=1S/C14H15NO5/c16-9-8-10-4-3-7-13(10)20-14(17)11-5-1-2-6-12(11)15(18)19/h1-2,5-6,9-10,13H,3-4,7-8H2/t10-,13+/m1/s1 |
| InChIKey |
ZACJTMLNFDUWLS-MFKMUULPSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Optical Rotation |
[a]D20 = +15.1 (c = 0.4, CH2Cl2) |
| Quality |
414 |
| Reported Formula |
C14H15NO5 |
| SMILES |
[C@@]1(OC(C2=CC=CC=C2[N+]([O-])=O)=O)(CCC[C@@]1(CC=O)[H])[H] |
| SPLASH |
splash10-0udi-9200000000-1daacba95afb186d2495 |
| Sample Comments |
66% ee |
| Source of Spectrum |
QE-24-SM15-4o (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900250 |
