| SpectraBase Spectrum ID |
8YGxdhuX23e |
| Name |
(+)-(1S,6R)-Benzyl-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]-hept-4-en-3-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21Cl2NO3 |
| InChI |
InChI=1S/C22H21Cl2NO3/c1-27-15-21-13-22(21,17-7-8-18(23)19(24)11-17)9-10-25(14-21)20(26)28-12-16-5-3-2-4-6-16/h2-11H,12-15H2,1H3/t21-,22-/m0/s1 |
| InChIKey |
WPBHYXDVPROUAU-VXKWHMMOSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Molecular Weight |
418.320 g/mol |
| Optical Rotation |
[a]D20 = +179.0 (c = 1.00, MeOH) |
| Reported Formula |
C22H21O3C12N |
| SMILES |
c1(cc(c(cc1)Cl)Cl)[C@@]12[C@](CN(C=C2)C(=O)OCc2ccccc2)(C1)COC |
| SPLASH |
splash10-0006-9010000000-62963921ef343ab970d7 |
| Sample Comments |
95% ee |
| Source of Spectrum |
DE102011100831A1 |
| Wiley ID |
1855028 |
![(+)-(1S,6R)-Benzyl-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]-hept-4-en-3-carboxylate](/api/spectrum/8YGxdhuX23e/structure.png?h=300&w=458 "(+)-(1S,6R)-Benzyl-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]-hept-4-en-3-carboxylate")
