| SpectraBase Spectrum ID |
IEXVt97z8jF |
| Name |
Ethyl (1S,1aS,6aS)-1-(4-nitrophenyl)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.115758027 u |
| Formula |
C19H17NO4 |
| InChI |
InChI=1S/C19H17NO4/c1-2-24-18(21)19(13-7-9-14(10-8-13)20(22)23)16-11-12-5-3-4-6-15(12)17(16)19/h3-10,16-17H,2,11H2,1H3/t16-,17+,19-/m0/s1 |
| InChIKey |
PMDZKFBLNXRTQV-SCTDSRPQSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Molecular Weight |
323.348 g/mol |
| Optical Rotation |
[a]D20 = -184.1 (c = 1.0, CHCl3) |
| Quality |
114 |
| SMILES |
[C@]1([C@]2([C@@]1(CC1=C2C=CC=C1)[H])[H])(C1=CC=C(C=C1)[N+]([O-])=O)C(OCC)=O |
| SPLASH |
splash10-0udi-0290000000-bb9265f9029118e9096d |
| Source of Spectrum |
C-144-SM44-cis-3wa (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910660 |
![Ethyl (1S,1aS,6aS)-1-(4-nitrophenyl)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate](/api/spectrum/IEXVt97z8jF/structure.png?h=300&w=458 "Ethyl (1S,1aS,6aS)-1-(4-nitrophenyl)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate")
