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1(2H)-Naphthalenone, 2-[2-(3-butenyl)-1-methyl-4-oxocyclohexyl]-3,4-dihydro-6-methoxy-, [1.alpha.(R*),2.beta.]-(.+-.)-
SpectraBase Compound ID H3nIXDRVljq
InChI InChI=1S/C22H28O3/c1-4-5-6-16-14-17(23)11-12-22(16,2)20-10-7-15-13-18(25-3)8-9-19(15)21(20)24/h4,8-9,13,16,20H,1,5-7,10-12,14H2,2-3H3/t16?,20-,22-/m1/s1
InChIKey HXFALIVWYAFRDZ-NMPNHXORSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKVJocr1ic3
Name 1(2H)-Naphthalenone, 2-[2-(3-butenyl)-1-methyl-4-oxocyclohexyl]-3,4-dihydro-6-methoxy-, [1.alpha.(R*),2.beta.]-(.+-.)-
Alternate Name(s) (2S)-2-[(1R)-2-(3-butenyl)-1-methyl-4-oxocyclohexyl]-6-methoxy-3,4-dihydro-1(2H)-naphthalenone 2-(2-but-3-enyl-1-methyl-4-oxocyclohexyl)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one
CAS Registry Number 79036-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-4-5-6-16-14-17(23)11-12-22(16,2)20-10-7-15-13-18(25-3)8-9-19(15)21(20)24/h4,8-9,13,16,20H,1,5-7,10-12,14H2,2-3H3/t16?,20-,22-/m1/s1
InChIKey HXFALIVWYAFRDZ-NMPNHXORSA-N
Molecular Weight 340.463 g/mol
SMILES C1([C@]([C@]2(C(CC(CC2)=O)CCC=C)C)(CCc2c1ccc(OC)c2)[H])=O
SPLASH splash10-004i-0900000000-a05010b0f6335790f468
Source of Spectrum KC-1982-2636-0
Wiley ID 1335546