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L-N-CARBOXYASPARTIC ACID, N-BENZYL 4-tert-BUTYL ESTER, HYDRATE
SpectraBase Compound ID 3nzRSDMXx3T
InChI InChI=1S/C16H21NO6.H2O/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);1H2/t12-;/m0./s1
InChIKey UWDOQNWFLPMMLQ-YDALLXLXSA-N
Mol Weight 341.36 g/mol
Molecular Formula C16H23NO7
Exact Mass 341.147452 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F43GdD4aGlD
Name L-N-CARBOXYASPARTIC ACID, N-BENZYL 4-tert-BUTYL ESTER, HYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 5545-52-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO6 H2O
InChI InChI=1S/C16H21NO6.H2O/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);1H2/t12-;/m0./s1
InChIKey UWDOQNWFLPMMLQ-YDALLXLXSA-N
Melting Point 55-57C
Molecular Weight 341.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ASPARTIC ACID, N-CARBOXY-, N-BENZYL 4-tert-BUTYL ESTER, HYDRATE, L-,