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(E)-3-[1-(1,2-Dimethyl-3-indolyl)-2-methylpropylidene]-4-adamantylidenedihydro-2,5-furandione
SpectraBase Compound ID A1F4mqhaShh
InChI InChI=1S/C28H31NO3/c1-14(2)22(23-15(3)29(4)21-8-6-5-7-20(21)23)25-26(28(31)32-27(25)30)24-18-10-16-9-17(12-18)13-19(24)11-16/h5-8,14,16-19H,9-13H2,1-4H3/b25-22+,26-24-/t16-,17+,18-,19+
InChIKey OEYFKKKATZZBEH-ZLOXSEFTSA-N
Mol Weight 429.56 g/mol
Molecular Formula C28H31NO3
Exact Mass 429.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xIT0J8bbmd
Name (E)-3-[1-(1,2-Dimethyl-3-indolyl)-2-methylpropylidene]-4-adamantylidenedihydro-2,5-furandione
Alternate Name(s) (3E)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2-methylpropylidene]-4-tricyclo[3.3.1.1(3,7)]dec-2-ylidenedihydro-2,5-furandione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31NO3
InChI InChI=1S/C28H31NO3/c1-14(2)22(23-15(3)29(4)21-8-6-5-7-20(21)23)25-26(28(31)32-27(25)30)24-18-10-16-9-17(12-18)13-19(24)11-16/h5-8,14,16-19H,9-13H2,1-4H3/b25-22+,26-24-/t16-,17+,18-,19+
InChIKey OEYFKKKATZZBEH-ZLOXSEFTSA-N
Molecular Weight 429.560 g/mol
SMILES C1(\C(C(OC1=O)=O)=C/(c1c([n](C)c2c1cccc2)C)C(C)C)=C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H]
SPLASH splash10-014i-9000400000-4d0c4e8af7d9e329f079
Source of Spectrum AJ-68-1682-10
Wiley ID 773238