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5-Acetyl-6-hydroxy-5-[2-(4-methylphenyl)ethyl]-8-phenoxy-1-azabicyclo[5.2.0]nonan-9-one
SpectraBase Compound ID 8S8RdBPw1P4
InChI InChI=1S/C25H29NO4/c1-17-9-11-19(12-10-17)13-15-25(18(2)27)14-6-16-26-21(23(25)28)22(24(26)29)30-20-7-4-3-5-8-20/h3-5,7-12,21-23,28H,6,13-16H2,1-2H3
InChIKey VEHHAQXWTHBHBQ-UHFFFAOYSA-N
Mol Weight 407.51 g/mol
Molecular Formula C25H29NO4
Exact Mass 407.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Zkb4Ryhz87
Name 5-Acetyl-6-hydroxy-5-[2-(4-methylphenyl)ethyl]-8-phenoxy-1-azabicyclo[5.2.0]nonan-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO4
InChI InChI=1S/C25H29NO4/c1-17-9-11-19(12-10-17)13-15-25(18(2)27)14-6-16-26-21(23(25)28)22(24(26)29)30-20-7-4-3-5-8-20/h3-5,7-12,21-23,28H,6,13-16H2,1-2H3
InChIKey VEHHAQXWTHBHBQ-UHFFFAOYSA-N
Molecular Weight 407.510 g/mol
SMILES OC1C(CCCN2C1C(C2=O)Oc1ccccc1)(CCc1ccc(cc1)C)C(=O)C
SPLASH splash10-0a4i-0000900000-75b4ea42177b501a26f8
Source of Spectrum J-66-1618-4
Wiley ID 1534707