| SpectraBase Spectrum ID |
BuPQZL9ussb |
| Name |
(S)-8,8-difluoro-6a-methyl-6a,8,9,10-tetrahydro-7H-benzo[a]carbazole |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H15F2N |
| InChI |
InChI=1S/C17H15F2N/c1-16-8-6-11-4-2-3-5-12(11)15(16)20-14-7-9-17(18,19)10-13(14)16/h2-6,8H,7,9-10H2,1H3/t16-/m0/s1 |
| InChIKey |
UODRJUNMRRPPHB-INIZCTEOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201602932 |
| Molecular Weight |
271.311 g/mol |
| Optical Rotation |
[a]D25 = -80 (c = 0.22, CH2Cl2) |
| Quality |
50 |
| Reported Formula |
C17H15NF2 |
| SMILES |
C1=CC2=C(C=C1)C=C[C@@]1(C2=NC2=C1CC(CC2)(F)F)C |
| SPLASH |
splash10-00di-0190000000-62096995945ba45cfef9 |
| Sample Comments |
er = 99.5:0.5 |
| Source of Spectrum |
ACI-55-SM8-4d (DOI: 10.1002/anie.201602932) |
| Wiley ID |
1904474 |
![(S)-8,8-difluoro-6a-methyl-6a,8,9,10-tetrahydro-7H-benzo[a]carbazole](/api/spectrum/BuPQZL9ussb/structure.png?h=300&w=458 "(S)-8,8-difluoro-6a-methyl-6a,8,9,10-tetrahydro-7H-benzo[a]carbazole")
