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[1-[4-(1-piperidyl)phenyl]ethylideneamino] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoate
SpectraBase Compound ID 3BkAvM6OP5j
InChI InChI=1S/C37H37N3O4/c1-26(28-18-20-29(21-19-28)40-22-10-3-11-23-40)39-44-36(41)35(24-27-12-4-2-5-13-27)38-37(42)43-25-34-32-16-8-6-14-30(32)31-15-7-9-17-33(31)34/h2,4-9,12-21,34-35H,3,10-11,22-25H2,1H3,(H,38,42)/t35-/m0/s1
InChIKey ZUXZLHRFOMKZJB-DHUJRADRSA-N
Mol Weight 587.7 g/mol
Molecular Formula C37H37N3O4
Exact Mass 587.278407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6p0R5dDEt2w
Name [1-[4-(1-piperidyl)phenyl]ethylideneamino] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H37N3O4
InChI InChI=1S/C37H37N3O4/c1-26(28-18-20-29(21-19-28)40-22-10-3-11-23-40)39-44-36(41)35(24-27-12-4-2-5-13-27)38-37(42)43-25-34-32-16-8-6-14-30(32)31-15-7-9-17-33(31)34/h2,4-9,12-21,34-35H,3,10-11,22-25H2,1H3,(H,38,42)/t35-/m0/s1
InChIKey ZUXZLHRFOMKZJB-DHUJRADRSA-N
Instrument Name JEOL JMS-DX303
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/rcm.1290091102
Molecular Weight 587.720 g/mol
SMILES N(C(OCC1c2c(-c3c1cccc3)cccc2)=O)[C@](C(ON=C(c1ccc(cc1)N1CCCCC1)C)=O)(Cc1ccccc1)[H]
SPLASH splash10-004m-1916000000-1c2b67fec04d56d7242c
Source of Spectrum RCM-9-972-1, Fmoc-Phe-PAO
Wiley ID 1835755