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3-[2-(3,4-diethoxyphenyl)ethylamino]-2-(1-oxopentyl)-5-phenyl-1-cyclohex-2-enone
SpectraBase Compound ID FIOAp9JtHcI
InChI InChI=1S/C29H37NO4/c1-4-7-13-25(31)29-24(19-23(20-26(29)32)22-11-9-8-10-12-22)30-17-16-21-14-15-27(33-5-2)28(18-21)34-6-3/h8-12,14-15,18,23,30H,4-7,13,16-17,19-20H2,1-3H3
InChIKey LAYNUIQSNIJCNM-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C29H37NO4
Exact Mass 463.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RoyXTNRCsb
Name 3-[2-(3,4-diethoxyphenyl)ethylamino]-2-(1-oxopentyl)-5-phenyl-1-cyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H37NO4
InChI InChI=1S/C29H37NO4/c1-4-7-13-25(31)29-24(19-23(20-26(29)32)22-11-9-8-10-12-22)30-17-16-21-14-15-27(33-5-2)28(18-21)34-6-3/h8-12,14-15,18,23,30H,4-7,13,16-17,19-20H2,1-3H3
InChIKey LAYNUIQSNIJCNM-UHFFFAOYSA-N
Molecular Weight 463.618 g/mol
SMILES N(C1=C(C(CC(c2ccccc2)C1)=O)C(=O)CCCC)CCc1cc(OCC)c(cc1)OCC
SPLASH splash10-007o-6940000000-16eac5d4b7ea56c17841
Synonyms 3-[2-(3,4-diethoxyphenyl)ethylamino]-2-pentanoyl-5-phenyl-cyclohex-2-en-1-one 3-[2-(3,4-diethoxyphenyl)ethylamino]-5-phenyl-2-valeryl-cyclohex-2-en-1-one
Wiley ID 1445772