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(S)-.alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(3-methoxy-3-oxopropyl)benzenepropanoic acid
SpectraBase Compound ID MWnvST0sTv
InChI InChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19-14(16(21)22)11-13-7-5-12(6-8-13)9-10-15(20)24-4/h5-8,14H,9-11H2,1-4H3,(H,19,23)(H,21,22)/t14-/m0/s1
InChIKey QJUHXHRBXVBLOE-AWEZNQCLSA-N
Mol Weight 351.4 g/mol
Molecular Formula C18H25NO6
Exact Mass 351.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0NseRq1qTr
Name (S)-.alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(3-methoxy-3-oxopropyl)benzenepropanoic acid
CAS Registry Number 123993-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO6
InChI InChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19-14(16(21)22)11-13-7-5-12(6-8-13)9-10-15(20)24-4/h5-8,14H,9-11H2,1-4H3,(H,19,23)(H,21,22)/t14-/m0/s1
InChIKey QJUHXHRBXVBLOE-AWEZNQCLSA-N
Molecular Weight 351.399 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(=O)O)(Cc1ccc(cc1)CCC(=O)OC)[H]
SPLASH splash10-004i-0940000000-7afd3d661cbbbd7d7199
Source of Spectrum J-55-909-4
Synonyms (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(3-methoxy-3-oxopropyl)phenyl]propanoic acid
Wiley ID 1342555