| SpectraBase Spectrum ID |
1DjtbJ3muBz |
| Name |
(1S,2R)-2-(2-hydroxyethyl)cycloheptyl 2-nitrobenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.141972775 u |
| Formula |
C16H21NO5 |
| InChI |
InChI=1S/C16H21NO5/c18-11-10-12-6-2-1-3-9-15(12)22-16(19)13-7-4-5-8-14(13)17(20)21/h4-5,7-8,12,15,18H,1-3,6,9-11H2/t12-,15+/m1/s1 |
| InChIKey |
ZMSMMPYOLGMQJX-DOMZBBRYSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Optical Rotation |
[a]D20 = +21.2 (c = 1.0, CH2Cl2) |
| Quality |
230 |
| Reported Formula |
C16H21NO5 |
| SMILES |
OCC[C@]1(CCCCC[C@@]1(OC(C1=CC=CC=C1[N+]([O-])=O)=O)[H])[H] |
| SPLASH |
splash10-0a4i-9070000000-2080c9c14bd4f3b085f2 |
| Source of Spectrum |
QE-24-SM23-5p (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900268 |
