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L-Phenylalanine, N-(3-methoxy-1-oxo-4-octacosenyl)-, methyl ester
SpectraBase Compound ID KxtIC0gtc3W
InChI InChI=1S/C39H67NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-36(43-2)34-38(41)40-37(39(42)44-3)33-35-30-27-26-28-31-35/h26-32,36-37H,4-25,33-34H2,1-3H3,(H,40,41)/b32-29+
InChIKey RFIZKPZMJAASRO-UUDCSCGESA-N
Mol Weight 614.0 g/mol
Molecular Formula C39H67NO4
Exact Mass 613.50701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Gc3ARUMWvo
Name L-Phenylalanine, N-(3-methoxy-1-oxo-4-octacosenyl)-, methyl ester
Alternate Name(s) Methyl 2-([(4E)-3-methoxy-4-octacosenoyl]amino)-3-phenylpropanoate 2-[[(E)-3-methoxy-1-oxooctacos-4-enyl]amino]-3-phenylpropanoic acid methyl ester 2-[[(E)-3-methoxyoctacos-4-enoyl]amino]-3-phenyl-propionic acid methyl ester Methyl 2-[[(E)-3-methoxyoctacos-4-enoyl]amino]-3-phenyl-propanoate N-(3-methoxy-4-octacosenoyl)phenylalanine methyl ester
CAS Registry Number 72087-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H67NO4
InChI InChI=1S/C39H67NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-36(43-2)34-38(41)40-37(39(42)44-3)33-35-30-27-26-28-31-35/h26-32,36-37H,4-25,33-34H2,1-3H3,(H,40,41)/b32-29+
InChIKey RFIZKPZMJAASRO-UUDCSCGESA-N
Molecular Weight 613.968 g/mol
SMILES N(C(CC(\C=C\CCCCCCCCCCCCCCCCCCCCCCC)OC)=O)C(Cc1ccccc1)C(=O)OC
SPLASH splash10-03k9-0900001000-18988ccb7f879a762107
Source of Spectrum T-66-2717-0
Wiley ID 1411144