| SpectraBase Spectrum ID |
8Jja4xlwRaS |
| Name |
PB-22-A ET |
| Classification |
Ethanolysis product of PB-22 |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
259.157228918 u |
| Formula |
C16H21NO2 |
| InChI |
InChI=1S/C16H21NO2/c1-3-5-8-11-17-12-14(16(18)19-4-2)13-9-6-7-10-15(13)17/h6-7,9-10,12H,3-5,8,11H2,1-2H3 |
| InChIKey |
LXUMNHPOLXEKJM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
259.349 g/mol |
| Nominal Mass |
259 u |
| Quality |
997 |
| Retention Index |
2144 |
| SMILES |
C=12C(N(C=C2C(OCC)=O)CCCCC)=CC=CC1 |
| SPLASH |
splash10-0r0r-0690000000-d9f934e3ccffd4ab2025 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethyl-1-pentyl-1H-indole-3-carboxylate
ethyl 1-pentyl-1H-indole-3-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018514 |
