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3-(cyclohexylamino)-4-ethoxy-1,6-dihydro-6-(trans-styryl)phthalsaureanhydrid
SpectraBase Compound ID C5eARkBetXD
InChI InChI=1S/C24H27NO4/c1-2-28-19-15-17(14-13-16-9-5-3-6-10-16)20-21(24(27)29-23(20)26)22(19)25-18-11-7-4-8-12-18/h3,5-6,9-10,13-15,17-18,20,25H,2,4,7-8,11-12H2,1H3/b14-13+/t17-,20-/m1/s1
InChIKey KTECTIRGUYKMAD-BFMLKRJCSA-N
Mol Weight 393.48 g/mol
Molecular Formula C24H27NO4
Exact Mass 393.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Hi3yiOmxYb
Name 3-(cyclohexylamino)-4-ethoxy-1,6-dihydro-6-(trans-styryl)phthalsaureanhydrid
CAS Registry Number 104599-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO4
InChI InChI=1S/C24H27NO4/c1-2-28-19-15-17(14-13-16-9-5-3-6-10-16)20-21(24(27)29-23(20)26)22(19)25-18-11-7-4-8-12-18/h3,5-6,9-10,13-15,17-18,20,25H,2,4,7-8,11-12H2,1H3/b14-13+/t17-,20-/m1/s1
InChIKey KTECTIRGUYKMAD-BFMLKRJCSA-N
Molecular Weight 393.483 g/mol
SMILES N(C1=C2C(OC([C@@]2([C@@](C=C1OCC)(\C=C\c1ccccc1)[H])[H])=O)=O)C1CCCCC1
SPLASH splash10-0a4l-6009000000-07460cd4cb6c27ae8e19
Source of Spectrum K-119-3809-14
Synonyms (3aR,4R)-7-(cyclohexylamino)-6-ethoxy-4-[(E)-2-phenylethenyl]-3a,4-dihydro-2-benzofuran-1,3-dione
Wiley ID 1366333