SpectraBase Spectrum ID |
JGEn45mRZcu |
Name |
1-(Piperidin-1-yl)octadecan-1-one |
CAS Registry Number |
4629-04-3 |
Classification |
Chemical |
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 |
351.350115072 u |
Formula |
C23H45NO |
InChI |
InChI=1S/C23H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h2-22H2,1H3 |
InChIKey |
MFZHIRGDMBVSTF-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
351.619 g/mol |
Nominal Mass |
351 u |
Quality |
986 |
Retention Index |
2772 |
SMILES |
C(N1CCCCC1)(CCCCCCCCCCCCCCCCC)=O |
SPLASH |
splash10-004l-7900000000-2f9890a4a8be902a673e |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(piperidin-1-yl)octadecan-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_022395 |