| SpectraBase Spectrum ID |
6K5In08vuaJ |
| Name |
(1R,3aS,7aS)-1-Phenoxy-3a,4,7,7a-tetrahydro-1H,3H-5-oxa-2a,6-diaza-cyclobuta[f]inden-2-one (Autogemerated) |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14N2O3 |
| InChI |
InChI=1S/C14H14N2O3/c17-14-13(19-10-4-2-1-3-5-10)12-6-11-9(7-16(12)14)8-18-15-11/h1-5,9,12-13H,6-8H2/t9-,12+,13-/m1/s1 |
| InChIKey |
UNANUNOITQGHDU-JIMOISOXSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.416 |
| Molecular Weight |
258.277 g/mol |
| Optical Rotation |
[a]D = +41.7 (c = 0.9, CHCl3) |
| SMILES |
[C@@]1([C@]2(N(C1=O)C[C@]1([H])CON=C1C2)[H])(Oc1ccccc1)[H] |
| SPLASH |
splash10-014i-2900000000-1f476899de34c47673e4 |
| Source of Spectrum |
ARK-2004-149-(+)-10a |
| Wiley ID |
1875974 |
![(1R,3aS,7aS)-1-Phenoxy-3a,4,7,7a-tetrahydro-1H,3H-5-oxa-2a,6-diaza-cyclobuta[f]inden-2-one (Autogemerated)](/api/spectrum/6K5In08vuaJ/structure.png?h=300&w=458 "(1R,3aS,7aS)-1-Phenoxy-3a,4,7,7a-tetrahydro-1H,3H-5-oxa-2a,6-diaza-cyclobuta[f]inden-2-one (Autogemerated)")
