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1(2H)-Naphthalenone, 3,4-dihydro-2-[2-(2-iodoethyl)-1-methyl-3-cyclohexen-1-yl]-6-methoxy- , [1.alpha.(S*),2.beta.]-(.+-.)-
SpectraBase Compound ID Cq2h2KfXNU5
InChI InChI=1S/C20H25IO2/c1-20(11-4-3-5-15(20)10-12-21)18-9-6-14-13-16(23-2)7-8-17(14)19(18)22/h3,5,7-8,13,15,18H,4,6,9-12H2,1-2H3/t15?,18-,20-/m0/s1
InChIKey BZFNWOYBPKMWAR-AKPNPTIESA-N
Mol Weight 424.32 g/mol
Molecular Formula C20H25IO2
Exact Mass 424.089925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGAHZaIB9OP
Name 1(2H)-Naphthalenone, 3,4-dihydro-2-[2-(2-iodoethyl)-1-methyl-3-cyclohexen-1-yl]-6-methoxy- , [1.alpha.(S*),2.beta.]-(.+-.)-
CAS Registry Number 84994-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25IO2
InChI InChI=1S/C20H25IO2/c1-20(11-4-3-5-15(20)10-12-21)18-9-6-14-13-16(23-2)7-8-17(14)19(18)22/h3,5,7-8,13,15,18H,4,6,9-12H2,1-2H3/t15?,18-,20-/m0/s1
InChIKey BZFNWOYBPKMWAR-AKPNPTIESA-N
Molecular Weight 424.322 g/mol
SMILES C1([C@@]([C@@]2(C(C=CCC2)CCI)C)(CCc2c1ccc(OC)c2)[H])=O
SPLASH splash10-0002-0091300000-af865344315879c67c19
Source of Spectrum KC-1982-2637-0
Synonyms (2R)-2-[(1S)-2-(2-iodoethyl)-1-methyl-3-cyclohexen-1-yl]-6-methoxy-3,4-dihydro-1(2H)-naphthalenone 2-[2-(2-iodoethyl)-1-methylcyclohex-3-enyl]-6-methoxy 3,4-dihydronaphthalen-1(2H)-one
Wiley ID 1379190