| SpectraBase Spectrum ID |
2szzQupzhzx |
| Name |
(+-)-[6aS*-(6.alpha.,6a.beta.,10.beta.,10a.beta.,11.alpha.)]-10-chloro-5,6a,7,8,9,10,10a,11-octahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazaepine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18ClNO2 |
| InChI |
InChI=1S/C16H18ClNO2/c17-12-2-1-3-13-16(12)11-7-18(13)6-9-4-14-15(5-10(9)11)20-8-19-14/h4-5,11-13,16H,1-3,6-8H2/t11-,12-,13-,16+/m0/s1 |
| InChIKey |
AQCBALYAJGBHMX-WFGGJUAMSA-N |
| Molecular Weight |
291.778 g/mol |
| SMILES |
C1N2[C@@]3([C@]([C@@]1(c1c(C2)cc2c(OCO2)c1)[H])([C@](CCC3)(Cl)[H])[H])[H] |
| SPLASH |
splash10-0a4l-0090000000-d3e72cfa1f4d6bdb479c |
| Source of Spectrum |
J-58-4669-26 |
| Synonyms |
(1R,13S,17S,18S)-17-chloro-5,7-dioxa-12-azapentacyclo[10.6.1.0(2,10).0(4,8).0(13,18)]nonadeca-2(10),3,8-triene |
| Wiley ID |
1294525 |
![(+-)-[6aS*-(6.alpha.,6a.beta.,10.beta.,10a.beta.,11.alpha.)]-10-chloro-5,6a,7,8,9,10,10a,11-octahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazaepine](/api/spectrum/2szzQupzhzx/structure.png?h=300&w=458 "(+-)-[6aS*-(6.alpha.,6a.beta.,10.beta.,10a.beta.,11.alpha.)]-10-chloro-5,6a,7,8,9,10,10a,11-octahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazaepine")
