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3-[2-[N-[(2-(hydroxymethyl)-4,5-(isopropylidenedioxy)cyclohexyl)acetyl]amidoethyl]indole
SpectraBase Compound ID wiYslrpcVY
InChI InChI=1S/C22H30N2O4/c1-22(2)27-19-9-15(16(13-25)10-20(19)28-22)11-21(26)23-8-7-14-12-24-18-6-4-3-5-17(14)18/h3-6,12,15-16,19-20,24-25H,7-11,13H2,1-2H3,(H,23,26)
InChIKey YWKFZYHAIJBMBN-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C22H30N2O4
Exact Mass 386.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aLZI2mUhfN
Name 3-[2-[N-[(2-(hydroxymethyl)-4,5-(isopropylidenedioxy)cyclohexyl)acetyl]amidoethyl]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O4
InChI InChI=1S/C22H30N2O4/c1-22(2)27-19-9-15(16(13-25)10-20(19)28-22)11-21(26)23-8-7-14-12-24-18-6-4-3-5-17(14)18/h3-6,12,15-16,19-20,24-25H,7-11,13H2,1-2H3,(H,23,26)
InChIKey YWKFZYHAIJBMBN-UHFFFAOYSA-N
Molecular Weight 386.492 g/mol
SMILES N(C(CC1CC2OC(OC2CC1CO)(C)C)=O)CCc1c[nH]c2c1cccc2
SPLASH splash10-0006-0922000000-099167beaf72acc988f9
Source of Spectrum F-50-8845-11
Synonyms 3-[2-[N-[(2-(hydroxymethyl)-4,5-(isopropylidenedioxy)cyclohexyl)acetyl]amido]ethyl]indole isomer 2-[6-(hydroxymethyl)-2,2-dimethylhexahydro-1,3-benzodioxol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Wiley ID 1362749