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2-Decanoylamino-pentanedioic acid 1-benzyl ester
SpectraBase Compound ID GAtVMAAlg1t
InChI InChI=1S/C22H33NO5/c1-2-3-4-5-6-7-11-14-20(24)23-19(15-16-21(25)26)22(27)28-17-18-12-9-8-10-13-18/h8-10,12-13,19H,2-7,11,14-17H2,1H3,(H,23,24)(H,25,26)
InChIKey ZHYUBPLDCDUONQ-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C22H33NO5
Exact Mass 391.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEviJFHfJJd
Name 2-Decanoylamino-pentanedioic acid 1-benzyl ester
Alternate Name(s) 5-Oxo-4-(1-oxodecylamino)-5-phenylmethoxypentanoic acid 4-(decanoylamino)-5-oxo-5-phenylmethoxypentanoic acid 5-Benzyloxy-4-(decanoylamino)-5-oxo-pentanoic acid 4-(decanoylamino)-5-oxidanylidene-5-phenylmethoxy-pentanoic acid
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Formula C22H33NO5
InChI InChI=1S/C22H33NO5/c1-2-3-4-5-6-7-11-14-20(24)23-19(15-16-21(25)26)22(27)28-17-18-12-9-8-10-13-18/h8-10,12-13,19H,2-7,11,14-17H2,1H3,(H,23,24)(H,25,26)
InChIKey ZHYUBPLDCDUONQ-UHFFFAOYSA-N
Molecular Weight 391.508 g/mol
SMILES N(C(CCC(=O)O)C(OCc1ccccc1)=O)C(=O)CCCCCCCCC
SPLASH splash10-0ukc-0918000000-3efe49c87e4e888aec62
Source of Spectrum G2-5-173-8
Wiley ID 1714924