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Benzenebutanoic acid, .alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-.beta.-oxo-4-(phenylmethoxy)-, methyl ester
SpectraBase Compound ID 1RQBxYY8EKf
InChI InChI=1S/C23H27NO6/c1-23(2,3)30-22(27)24-20(21(26)28-4)19(25)14-16-10-12-18(13-11-16)29-15-17-8-6-5-7-9-17/h5-13,20H,14-15H2,1-4H3,(H,24,27)
InChIKey OCCFETNZDJUIGS-UHFFFAOYSA-N
Mol Weight 413.47 g/mol
Molecular Formula C23H27NO6
Exact Mass 413.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUTA3vtgLu0
Name Benzenebutanoic acid, .alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-.beta.-oxo-4-(phenylmethoxy)-, methyl ester
CAS Registry Number 61172-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27NO6
InChI InChI=1S/C23H27NO6/c1-23(2,3)30-22(27)24-20(21(26)28-4)19(25)14-16-10-12-18(13-11-16)29-15-17-8-6-5-7-9-17/h5-13,20H,14-15H2,1-4H3,(H,24,27)
InChIKey OCCFETNZDJUIGS-UHFFFAOYSA-N
Molecular Weight 413.470 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C(Cc1ccc(OCc2ccccc2)cc1)=O)C(=O)OC
SPLASH splash10-0006-9101000000-d44eb1749dfc3bae63d6
Source of Spectrum H-59-2028-3
Synonyms Methyl 4-[4-(benzyloxy)phenyl]-2-[(tert-butoxycarbonyl)amino]-3-oxobutanoate Methylester of 2-t-butyloxycarbonylamino-3-oxo-4-(p-benzyloxyphenyl)-butric acid
Wiley ID 1375023