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3-[2-(5-benzoxy-2-methyl-1H-indol-3-yl)ethylamino]-5,5-dimethyl-2-valeryl-cyclohex-2-en-1-one
SpectraBase Compound ID 94HRN7tin0g
InChI InChI=1S/C31H38N2O3/c1-5-6-12-28(34)30-27(18-31(3,4)19-29(30)35)32-16-15-24-21(2)33-26-14-13-23(17-25(24)26)36-20-22-10-8-7-9-11-22/h7-11,13-14,17,32-33H,5-6,12,15-16,18-20H2,1-4H3
InChIKey HUXLRKOFNGSTDO-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H38N2O3
Exact Mass 486.288243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EotrKPF7ulU
Name 3-[2-(5-benzoxy-2-methyl-1H-indol-3-yl)ethylamino]-5,5-dimethyl-2-valeryl-cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38N2O3
InChI InChI=1S/C31H38N2O3/c1-5-6-12-28(34)30-27(18-31(3,4)19-29(30)35)32-16-15-24-21(2)33-26-14-13-23(17-25(24)26)36-20-22-10-8-7-9-11-22/h7-11,13-14,17,32-33H,5-6,12,15-16,18-20H2,1-4H3
InChIKey HUXLRKOFNGSTDO-UHFFFAOYSA-N
Molecular Weight 486.656 g/mol
SMILES N(C1=C(C(CC(C)(C)C1)=O)C(=O)CCCC)CCc1c([nH]c2c1cc(cc2)OCc1ccccc1)C
SPLASH splash10-0f6x-9540000000-e3a847b621553bcae274
Synonyms 3-[2-(5-benzyloxy-2-methyl-1H-indol-3-yl)ethylamino]-5,5-dimethyl-2-pentanoyl-cyclohex-2-en-1-one 5,5-Dimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-(1-oxopentyl)-1-cyclohex-2-enone 5,5-Dimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-pentanoyl-cyclohex-2-en-1-one
Wiley ID 1445228