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(E)-3-[1-(1,2-Dimethyl-3-indolyl)butylidene]-4-adamantylidenedihydro-2,5-furandione
SpectraBase Compound ID IUcYhXVKhKj
InChI InChI=1S/C28H31NO3/c1-4-7-21(23-15(2)29(3)22-9-6-5-8-20(22)23)25-26(28(31)32-27(25)30)24-18-11-16-10-17(13-18)14-19(24)12-16/h5-6,8-9,16-19H,4,7,10-14H2,1-3H3/b25-21+,26-24-/t16-,17?,18?,19?/m1/s1
InChIKey HCVNKYSWFBJHCJ-JBBAFXDFSA-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 92EsoUeNW5F
Name (E)-3-[1-(1,2-Dimethyl-3-indolyl)butylidene]-4-adamantylidenedihydro-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/c1-4-7-21(23-15(2)29(3)22-9-6-5-8-20(22)23)25-26(28(31)32-27(25)30)24-18-11-16-10-17(13-18)14-19(24)12-16/h5-6,8-9,16-19H,4,7,10-14H2,1-3H3/b25-21+,26-24-/t16-,17?,18?,19?/m1/s1
InChIKey HCVNKYSWFBJHCJ-JBBAFXDFSA-N
Molecular Weight 429.560 g/mol
SMILES C1(\C(\C(C(O1)=O)=C/(c1c([n](C)c2c1cccc2)C)CCC)=C\1C2C[C@]3(CC1CC(C2)C3)[H])=O
SPLASH splash10-0002-0900300000-ecedd071e39f4240032d
Source of Spectrum AJ-68-1682-9
Wiley ID 773239