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3-(2-oxo-1-oxa-spiro[4.5]dec-3-en-4-ylamino)-3-phenyl-propionic acid
SpectraBase Compound ID EmNHVoIikVC
InChI InChI=1S/C18H21NO4/c20-16(21)11-14(13-7-3-1-4-8-13)19-15-12-17(22)23-18(15)9-5-2-6-10-18/h1,3-4,7-8,12,14,19H,2,5-6,9-11H2,(H,20,21)
InChIKey NPBVZXNJTDZYKQ-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuI4r8BKqqe
Name 3-(2-oxo-1-oxa-spiro[4.5]dec-3-en-4-ylamino)-3-phenyl-propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c20-16(21)11-14(13-7-3-1-4-8-13)19-15-12-17(22)23-18(15)9-5-2-6-10-18/h1,3-4,7-8,12,14,19H,2,5-6,9-11H2,(H,20,21)
InChIKey NPBVZXNJTDZYKQ-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES N(C1=CC(=O)OC11CCCCC1)C(CC(=O)O)c1ccccc1
SPLASH splash10-000f-9750000000-e89c288cf3fff09fea52
Synonyms N-(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)-3-phenyl-.beta.-alanine
Wiley ID 1451685