| SpectraBase Spectrum ID |
LJkhjpmafik |
| Name |
(S)-11a-methyl-7,9,10,11a-tetrahydrobenzo[g]thiopyrano[4,3-b]indole |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.092520661 u |
| Formula |
C16H15NS |
| InChI |
InChI=1S/C16H15NS/c1-16-13-5-3-2-4-11(13)6-7-14(16)12-10-18-9-8-15(12)17-16/h2-7H,8-10H2,1H3/t16-/m0/s1 |
| InChIKey |
QWTBAXARCYQOIZ-INIZCTEOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201602932 |
| Molecular Weight |
253.363 g/mol |
| Optical Rotation |
[a]D25 = -662 (c = 0.35, CH2Cl2) |
| Quality |
84 |
| Reported Formula |
C16H15NS |
| SMILES |
C1=CC2=C(C=C1)C=CC=1[C@]2(N=C2C1CSCC2)C |
| SPLASH |
splash10-0zfr-0290000000-613d5d88b57019d5bf53 |
| Sample Comments |
er = 91:9 |
| Source of Spectrum |
ACI-55-SM14-5f (DOI: 10.1002/anie.201602932) |
| Wiley ID |
1904481 |
![(S)-11a-methyl-7,9,10,11a-tetrahydrobenzo[g]thiopyrano[4,3-b]indole](/api/spectrum/LJkhjpmafik/structure.png?h=300&w=458 "(S)-11a-methyl-7,9,10,11a-tetrahydrobenzo[g]thiopyrano[4,3-b]indole")
