(4S,6S)-1-Allyl-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylic acid
11654
Reference
(4S,6S)-1-Allyl-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylic acid Structure
Systematic / IUPAC Name: (9S,11S)-9-(2-Methylpropyl)-3-prop-2-enyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxylic acid
ID: Reference11654
Other Names: NAT33-501660
Formula: C19H24N2O2
Spectral Data
(4S,6S)-1-Allyl-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 3173 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/16/2022 11:18:40 AM |
Identificators
| InChI | InChI=1S/C19H24N2O2/c1-4-8-21-11-13-10-16(19(22)23)20-15(9-12(2)3)14-6-5-7-17(21)18(13)14/h4-7,11-12,15-16,20H,1,8-10H2,2-3H3,(H,22,23)/t15-,16-/m0/s1 |
| InChI Key | YKAJAYKUBHDZPJ-HOTGVXAUSA-N |
| Canonical SMILES | CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC=C)CC(N1)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT33-501660 |