2-Aminooctadec-4-yne-1,3-diol
6640
Reference
2-Aminooctadec-4-yne-1,3-diol Structure
Systematic / IUPAC Name: 2-Amino-4-octadecyne-1,3-diol
ID: Reference6640
Other Names: 4-Octadecyne-1,3-diol, 2-amino-
Formula: C18H35NO2
Spectral Data
2-Aminooctadec-4-yne-1,3-diol 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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 7/26/2017 7:29:09 AM |
Identificators
| InChI | InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-13,16,19H2,1H3 |
| InChI Key | YJXGFSAKPYAXAY-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCCCCCCCC#CC(C(CO)N)O |
| CAS | |
| Splash | |
| Other Names | 4-Octadecyne-1,3-diol, 2-amino- |