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3-Amino-3-(6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)- propionic acid

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3-Amino-3-(6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)- propionic acid
SpectraBase Compound ID 99mCGsRaJFB
InChI InChI=1S/C15H21NO6/c16-12(10-15(17)18)11-1-2-13-14(9-11)22-8-6-20-4-3-19-5-7-21-13/h1-2,9,12H,3-8,10,16H2,(H,17,18)
InChIKey KBHPRJFLLDCSBU-UHFFFAOYSA-N
Mol Weight 311.33 g/mol
Molecular Formula C15H21NO6
Exact Mass 311.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HWA1ueFBr9b
Name 3-Amino-3-(6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)- propionic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.136887394 u
Formula C15H21NO6
InChI InChI=1S/C15H21NO6/c16-12(10-15(17)18)11-1-2-13-14(9-11)22-8-6-20-4-3-19-5-7-21-13/h1-2,9,12H,3-8,10,16H2,(H,17,18)
InChIKey KBHPRJFLLDCSBU-UHFFFAOYSA-N
Molecular Weight 311.334 g/mol
SMILES C1=2OCCOCCOCCOC2C=CC(=C1)C(CC(O)=O)N