| SpectraBase Spectrum ID |
8oBtkokFCpY |
| Name |
(R)-11a-methyl-9,10,11a,12-tetrahydroazepino[1,2-b]isoquinoline-7,11(5H,8H)-dione |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.125928789 u |
| Formula |
C15H17NO2 |
| InChI |
InChI=1S/C15H17NO2/c1-15-9-11-5-2-3-6-12(11)10-16(15)14(18)8-4-7-13(15)17/h2-3,5-6H,4,7-10H2,1H3/t15-/m1/s1 |
| InChIKey |
GIDRINFMIBMODE-OAHLLOKOSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Molecular Weight |
243.306 g/mol |
| Optical Rotation |
[a]D24 = -22 (c = 1.0, CHCl3) |
| Quality |
88 |
| SMILES |
C1CCC(N2[C@](C1=O)(C)CC1=C(C2)C=CC=C1)=O |
| SPLASH |
splash10-014i-1900000000-d2ab76f6676bb12539a6 |
| Sample Comments |
72% ee |
| Source of Spectrum |
ACI-60-SM57-2q (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891363 |
![(R)-11a-methyl-9,10,11a,12-tetrahydroazepino[1,2-b]isoquinoline-7,11(5H,8H)-dione](/api/spectrum/8oBtkokFCpY/structure.png?h=300&w=458 "(R)-11a-methyl-9,10,11a,12-tetrahydroazepino[1,2-b]isoquinoline-7,11(5H,8H)-dione")
