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2-[(E)-3-(phenylseleno)allyl]malonic acid ditert-butyl ester
SpectraBase Compound ID 9B8GR8pAiEp
InChI InChI=1S/C20H28O4Se/c1-19(2,3)23-17(21)16(18(22)24-20(4,5)6)13-10-14-25-15-11-8-7-9-12-15/h7-12,14,16H,13H2,1-6H3/b14-10+
InChIKey ISRGKIOWEIYCPB-GXDHUFHOSA-N
Mol Weight 411.41 g/mol
Molecular Formula C20H28O4Se
Exact Mass 412.115281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ow7MHPRnIG
Name 2-[(E)-3-(phenylseleno)allyl]malonic acid ditert-butyl ester
Alternate Name(s) 2-[(E)-3-(phenylseleno)prop-2-enyl]propanedioic acid ditert-butyl ester ditert-butyl 2-[(E)-3-phenylselanylallyl]propanedioate ditert-butyl 2-[(E)-3-phenylselanylprop-2-enyl]propanedioate
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Formula C20H28O4Se
InChI InChI=1S/C20H28O4Se/c1-19(2,3)23-17(21)16(18(22)24-20(4,5)6)13-10-14-25-15-11-8-7-9-12-15/h7-12,14,16H,13H2,1-6H3/b14-10+
InChIKey ISRGKIOWEIYCPB-GXDHUFHOSA-N
Molecular Weight 411.412 g/mol
SMILES C(C(C(OC(C)(C)C)=O)C\C=C\[Se]c1ccccc1)(OC(C)(C)C)=O
SPLASH splash10-0zfr-9788100000-e1297ce3ce353171c950
Source of Spectrum J-60-6550-5
Wiley ID 1374341