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3-Benzo[1,3]dioxol-5-yl-3-tert-butoxycarbonylamino-propionic acid

View entire compound with spectra: 1 NMR

3-Benzo[1,3]dioxol-5-yl-3-tert-butoxycarbonylamino-propionic acid
SpectraBase Compound ID 2X7fwUOJjFi
InChI InChI=1S/C15H19NO6/c1-15(2,3)22-14(19)16-10(7-13(17)18)9-4-5-11-12(6-9)21-8-20-11/h4-6,10H,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKey UOQWIQGAZKFCDC-UHFFFAOYSA-N
Mol Weight 309.32 g/mol
Molecular Formula C15H19NO6
Exact Mass 309.121237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GYHiwNOtyD
Name 3-Benzo[1,3]dioxol-5-yl-3-tert-butoxycarbonylamino-propionic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.121237330 u
Formula C15H19NO6
InChI InChI=1S/C15H19NO6/c1-15(2,3)22-14(19)16-10(7-13(17)18)9-4-5-11-12(6-9)21-8-20-11/h4-6,10H,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKey UOQWIQGAZKFCDC-UHFFFAOYSA-N
Molecular Weight 309.318 g/mol
SMILES C(NC(CC(=O)O)C1=CC=2OCOC2C=C1)(OC(C)(C)C)=O