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(2S,3'R)-2-Benzylaminohex-3-enoic acid 4,4-dimethyl-2-oxotetrahydrofuran-3-yl ester
SpectraBase Compound ID 5LbSxM10V6B
InChI InChI=1S/C19H25NO4/c1-4-5-11-15(20-12-14-9-7-6-8-10-14)17(21)24-16-18(22)23-13-19(16,2)3/h5-11,15-16,20H,4,12-13H2,1-3H3/b11-5+/t15-,16-/m0/s1
InChIKey TWSKCZRUEUOMSC-DZFYBBITSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gbVF4dH41B
Name (2S,3'R)-2-Benzylaminohex-3-enoic acid 4,4-dimethyl-2-oxotetrahydrofuran-3-yl ester
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Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-4-5-11-15(20-12-14-9-7-6-8-10-14)17(21)24-16-18(22)23-13-19(16,2)3/h5-11,15-16,20H,4,12-13H2,1-3H3/b11-5+/t15-,16-/m0/s1
InChIKey TWSKCZRUEUOMSC-DZFYBBITSA-N
Molecular Weight 331.412 g/mol
SMILES N([C@](C(O[C@]1(C(OCC1(C)C)=O)[H])=O)(\C=C\CC)[H])Cc1ccccc1
SPLASH splash10-00dl-6900000000-8687911a9f0f582587a4
Source of Spectrum KD-15-598-3
Synonyms (3R)-4,4-dimethyl-2-oxotetrahydro-3-furanyl (2S,3E)-2-(benzylamino)-3-hexenoate
Wiley ID 1636813