| SpectraBase Spectrum ID |
IFg9U95d6zR |
| Name |
(3R,9aS)-3-butyloctahydro-1H-pyrrolo[1,2-a]azepine |
| Alternate Name(s) |
(3R,9aS)-3-butyllehmizidine |
| Appearance |
Colorless liquid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H25N |
| GC Oven Program |
Split injector |
| InChI |
InChI=1S/C13H25N/c1-2-3-7-12-9-10-13-8-5-4-6-11-14(12)13/h12-13H,2-11H2,1H3/t12-,13+/m1/s1 |
| InChIKey |
HGDMQYHSXFKEKW-OLZOCXBDSA-N |
| Instrument Name |
Finnigan Trace GC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202016892 |
| Molecular Weight |
195.350 g/mol |
| Reported Formula |
C13H26N |
| SMILES |
C1C[C@]2(N([C@@]1(CCCC)[H])CCCCC2)[H] |
| SPLASH |
splash10-000i-0900000000-6847b7d72bb1b8dfa036 |
| Source of Spectrum |
ACI-60-SM44-(3R,9aS)-20 |
| Thin-Layer Chromatography |
Rf = 0.37-0.19 (1% NH3/MeOH,Et2O) |
| Wiley ID |
1882425 |
![(3R,9aS)-3-butyloctahydro-1H-pyrrolo[1,2-a]azepine](/api/spectrum/IFg9U95d6zR/structure.png?h=300&w=458 "(3R,9aS)-3-butyloctahydro-1H-pyrrolo[1,2-a]azepine")
