| SpectraBase Spectrum ID |
2oRBAdCJqSW |
| Name |
PB-22-A ME |
| Classification |
Methanolysis product of PB-22 |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
245.141578854 u |
| Formula |
C15H19NO2 |
| InChI |
InChI=1S/C15H19NO2/c1-3-4-7-10-16-11-13(15(17)18-2)12-8-5-6-9-14(12)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3 |
| InChIKey |
FMSUKWLGFFSMTP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
245.322 g/mol |
| Nominal Mass |
245 u |
| Quality |
948 |
| Retention Index |
2082 |
| SMILES |
C=12C(N(C=C2C(OC)=O)CCCCC)=CC=CC1 |
| SPLASH |
splash10-000j-1940000000-7c6279c3dafce3fe852d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl-1-pentyl-1H-indole-3-carboxylate
methyl 1-pentyl-1H-indole-3-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019603 |
