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(S)-2-[11-(Azacyclotridecane-2-ylideneamino)-undecyl]-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
SpectraBase Compound ID FK6wHt75UXy
InChI InChI=1S/C27H49N3O3/c31-27(32)24-23-33-26(30-24)20-16-12-8-4-2-6-10-14-18-22-29-25-19-15-11-7-3-1-5-9-13-17-21-28-25/h24H,1-23H2,(H,28,29)(H,31,32)/t24-/m0/s1
InChIKey DZHGMTGVNNELCM-DEOSSOPVSA-N
Mol Weight 463.7 g/mol
Molecular Formula C27H49N3O3
Exact Mass 463.377392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nsXS5ja7NK
Name (S)-2-[11-(Azacyclotridecane-2-ylideneamino)-undecyl]-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
Alternate Name(s) (S)-2-(11-((azacyclotridecan-2-ylidene)amino)undecyl)-4,5-dihydrooxazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H49N3O3
InChI InChI=1S/C27H49N3O3/c31-27(32)24-23-33-26(30-24)20-16-12-8-4-2-6-10-14-18-22-29-25-19-15-11-7-3-1-5-9-13-17-21-28-25/h24H,1-23H2,(H,28,29)(H,31,32)/t24-/m0/s1
InChIKey DZHGMTGVNNELCM-DEOSSOPVSA-N
Literature Reference DOI 10.1002/prac.199533701117
Molecular Weight 463.707 g/mol
SMILES OC([C@@]1(COC(CCCCCCCCCCCN=C2NCCCCCCCCCCC2)=N1)[H])=O
SPLASH splash10-052f-9000100000-71419ddac673ce2db687
Source of Spectrum JF-337-556-14l
Wiley ID 1789935