| SpectraBase Spectrum ID |
8l52WaBTvAE |
| Name |
(2S,3R)-3-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl 2-nitrobenzoate |
| Appearance |
Light brown oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.110672646 u |
| Formula |
C19H17NO5 |
| InChI |
InChI=1S/C19H17NO5/c21-10-9-15-11-13-5-1-2-6-14(13)12-18(15)25-19(22)16-7-3-4-8-17(16)20(23)24/h1-8,10,15,18H,9,11-12H2/t15-,18-/m0/s1 |
| InChIKey |
QKZFMYOCVIIIEC-YJBOKZPZSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
339.347 g/mol |
| Optical Rotation |
[a]D20 = +44.8 (c = 1.0, CH2Cl2) |
| Quality |
80 |
| Reported Formula |
C19H17NO5 |
| SMILES |
[C@]1(CC2=C(C[C@@]1(CC=O)[H])C=CC=C2)(OC(C1=CC=CC=C1[N+]([O-])=O)=O)[H] |
| SPLASH |
splash10-056r-1950000000-0f423cf9069f176eb107 |
| Sample Comments |
89% ee |
| Source of Spectrum |
QE-24-SM14-4n (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900249 |
