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(S)-2-[11-(Azacyclotridecane-2-ylideneamino)-undecyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
SpectraBase Compound ID I3513iZ13mf
InChI InChI=1S/C28H51N3O3/c1-24-27(28(32)33)31-26(34-24)21-17-13-9-5-3-7-11-15-19-23-30-25-20-16-12-8-4-2-6-10-14-18-22-29-25/h24,27H,2-23H2,1H3,(H,29,30)(H,32,33)/t24-,27?/m0/s1
InChIKey LWEMGNOIVXAJDH-BXXZMZEQSA-N
Mol Weight 477.7 g/mol
Molecular Formula C28H51N3O3
Exact Mass 477.393043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17aqsmjFXlJ
Name (S)-2-[11-(Azacyclotridecane-2-ylideneamino)-undecyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
Alternate Name(s) (5S)-2-(11-((azacyclotridecan-2-ylidene)amino)undecyl)-5-methyl-4,5-dihydrooxazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H51N3O3
InChI InChI=1S/C28H51N3O3/c1-24-27(28(32)33)31-26(34-24)21-17-13-9-5-3-7-11-15-19-23-30-25-20-16-12-8-4-2-6-10-14-18-22-29-25/h24,27H,2-23H2,1H3,(H,29,30)(H,32,33)/t24-,27?/m0/s1
InChIKey LWEMGNOIVXAJDH-BXXZMZEQSA-N
Literature Reference DOI 10.1002/prac.199533701117
Molecular Weight 477.734 g/mol
SMILES OC(C1[C@@](OC(CCCCCCCCCCCN=C2NCCCCCCCCCCC2)=N1)(C)[H])=O
SPLASH splash10-067i-9000000000-213d7a053467745adc61
Source of Spectrum JF-337-556-14p
Wiley ID 1789938