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N-{[N'-(Fluorenyl)methoxycarbonyl]-serinyl}-.beta.-alanine
SpectraBase Compound ID I3pshfqQkqK
InChI InChI=1S/C21H22N2O6/c24-11-18(20(27)22-10-9-19(25)26)23-21(28)29-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,24H,9-12H2,(H,22,27)(H,23,28)(H,25,26)/t18-/m0/s1
InChIKey AHQNFTYXNZUMFO-SFHVURJKSA-N
Mol Weight 398.42 g/mol
Molecular Formula C21H22N2O6
Exact Mass 398.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UEUVWoE67C
Name N-{[N'-(Fluorenyl)methoxycarbonyl]-serinyl}-.beta.-alanine
Alternate Name(s) N-((2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxypropanoyl)-.beta.-alanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O6
InChI InChI=1S/C21H22N2O6/c24-11-18(20(27)22-10-9-19(25)26)23-21(28)29-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,24H,9-12H2,(H,22,27)(H,23,28)(H,25,26)/t18-/m0/s1
InChIKey AHQNFTYXNZUMFO-SFHVURJKSA-N
Molecular Weight 398.415 g/mol
SMILES N([C@@](CO)(C(=O)NCCC(=O)O)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-004i-0900000000-a2a4f409dae2aa693ce3
Source of Spectrum K1-2003-1690-11
Wiley ID 1520994