| SpectraBase Spectrum ID |
R9anRNfjuj |
| Name |
(S)-8,8-difluoro-11a-methyl-8,9,10,11a-tetrahydro-7H-benzo[a]carbazole |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H15F2N |
| InChI |
InChI=1S/C17H15F2N/c1-16-13-5-3-2-4-11(13)6-7-14(16)12-10-17(18,19)9-8-15(12)20-16/h2-7H,8-10H2,1H3/t16-/m1/s1 |
| InChIKey |
WGJWLNAYVFXIHF-MRXNPFEDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201602932 |
| Molecular Weight |
271.311 g/mol |
| Optical Rotation |
[a]D25 = -643 (c = 0.625, CH2Cl2) |
| Quality |
54 |
| Reported Formula |
C17H15NF2 |
| SMILES |
C1=CC2=C(C=C1)C=CC=1[C@@]2(N=C2C1CC(CC2)(F)F)C |
| SPLASH |
splash10-00di-0190000000-14c52430b6b56b4461c4 |
| Sample Comments |
er = 94:6 |
| Source of Spectrum |
ACI-55-SM14-5e (DOI: 10.1002/anie.201602932) |
| Wiley ID |
1904480 |
![(S)-8,8-difluoro-11a-methyl-8,9,10,11a-tetrahydro-7H-benzo[a]carbazole](/api/spectrum/R9anRNfjuj/structure.png?h=300&w=458 "(S)-8,8-difluoro-11a-methyl-8,9,10,11a-tetrahydro-7H-benzo[a]carbazole")
