| SpectraBase Spectrum ID |
LTdXJ9Alcfh |
| Name |
(S)-12a-methyl-7,8,9,10,11,12a-hexahydrobenzo[g]cyclohepta[b]indole |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.151749616 u |
| Formula |
C18H19N |
| InChI |
InChI=1S/C18H19N/c1-18-15-9-6-5-7-13(15)11-12-16(18)14-8-3-2-4-10-17(14)19-18/h5-7,9,11-12H,2-4,8,10H2,1H3/t18-/m0/s1 |
| InChIKey |
UBHBLVZAMIZMKI-SFHVURJKSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201602932 |
| Molecular Weight |
249.357 g/mol |
| Optical Rotation |
[a]D25 = -435 (c = 0.4, CH2Cl2) |
| Quality |
65 |
| Reported Formula |
C18H19N |
| SMILES |
C1=CC2=C(C=C1)C=CC=1[C@]2(N=C2C1CCCCC2)C |
| SPLASH |
splash10-0005-0590000000-4ecd5e932b560229bbc0 |
| Sample Comments |
er = 90:10 |
| Source of Spectrum |
ACI-55-SM13-5d (DOI: 10.1002/anie.201602932) |
| Wiley ID |
1904479 |
![(S)-12a-methyl-7,8,9,10,11,12a-hexahydrobenzo[g]cyclohepta[b]indole](/api/spectrum/LTdXJ9Alcfh/structure.png?h=300&w=458 "(S)-12a-methyl-7,8,9,10,11,12a-hexahydrobenzo[g]cyclohepta[b]indole")
