SpectraBase Compound ID | HqE78ao9zCC |
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InChI | InChI=1S/C27H45NO2/c1-3-25(2)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-27(29)30-24-26-20-18-22-28-23-26/h7,9,18,20,22-23,25H,3-6,8,10-17,19,21,24H2,1-2H3/b9-7- |
InChIKey | CMYQIBNIZMXAHG-CLFYSBASSA-N |
Mol Weight | 415.7 g/mol |
Molecular Formula | C27H45NO2 |
Exact Mass | 415.34503 g/mol |
SpectraBase Spectrum ID | Fh39JfRzOLz |
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Name | Picolinyl 18-methyl-7-eicosenoate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 415.345029691 u |
Formula | C27H45NO2 |
InChI | InChI=1S/C27H45NO2/c1-3-25(2)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-27(29)30-24-26-20-18-22-28-23-26/h7,9,18,20,22-23,25H,3-6,8,10-17,19,21,24H2,1-2H3/b9-7- |
InChIKey | CMYQIBNIZMXAHG-CLFYSBASSA-N |
Molecular Weight | 415.662 g/mol |
SMILES | C(CC(=O)OCC1=CC=CN=C1)CCC\C=C/CCCCCCCCCC(CC)C |