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Diethyl 2-[{(1S,2S)-1-methyl-1-(phenylamino)-2,3-dihydro-1H-inden-2-yl}methylene]malonate
SpectraBase Compound ID H8JsgUji7e1
InChI InChI=1S/C24H27NO4/c1-4-28-22(26)20(23(27)29-5-2)16-18-15-17-11-9-10-14-21(17)24(18,3)25-19-12-7-6-8-13-19/h6-14,16,18,25H,4-5,15H2,1-3H3/t18-,24-/m0/s1
InChIKey WPKMWVJRNMNCEE-UUOWRZLLSA-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 5fn6qdXEog7
Name Diethyl 2-[{(1S,2S)-1-methyl-1-(phenylamino)-2,3-dihydro-1H-inden-2-yl}methylene]malonate
Appearance Colorless solid
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Exact Mass 393.194008349 u
Formula C24H27NO4
InChI InChI=1S/C24H27NO4/c1-4-28-22(26)20(23(27)29-5-2)16-18-15-17-11-9-10-14-21(17)24(18,3)25-19-12-7-6-8-13-19/h6-14,16,18,25H,4-5,15H2,1-3H3/t18-,24-/m0/s1
InChIKey WPKMWVJRNMNCEE-UUOWRZLLSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704767
Molecular Weight 393.483 g/mol
Reported Formula C24H27NO4
SMILES N([C@]1([C@](C=C(C(OCC)=O)C(=O)OCC)(CC2=C1C=CC=C2)[H])C)C1=CC=CC=C1
SPLASH splash10-014i-0092000000-a5998a0a6e4212784eb2
Source of Spectrum ACI-56-SM31-10aa (DOI: 10.1002/anie.201704767)
Wiley ID 1896197