| SpectraBase Spectrum ID |
J7LmCtYXAY2 |
| Name |
Diethyl 1-nitro-4-phenylbutane-1,1-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NO6 |
| InChI |
InChI=1S/C16H21NO6/c1-3-22-14(18)16(17(20)21,15(19)23-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3 |
| InChIKey |
QADVTUJIEOBNQF-UHFFFAOYSA-N |
| Molecular Weight |
323.345 g/mol |
| SMILES |
C(CCCc1ccccc1)(C(=O)OCC)(C(=O)OCC)N(=O)=O |
| SPLASH |
splash10-004i-0090000000-dda36fea0ac5cdaf145c |
| Source of Spectrum |
D8-326-987-4 |
| Synonyms |
diethyl 2-nitro-2-(3-phenylpropyl)malonate |
| Wiley ID |
1514993 |
