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MANSONONE-N;1-HYDROXY-1-ISOPROPYL-6-METHOXY-4,7-DIMETHYL-3,4-DIHYDRONAPHTHALEN-2(1H)-ONE
SpectraBase Compound ID GfAmhYZDNmR
InChI InChI=1S/C16H22O4/c1-8(2)16(19)11-6-10(4)15(20-5)14(18)13(11)9(3)7-12(16)17/h6,8-9,18-19H,7H2,1-5H3/t9-,16-/m1/s1
InChIKey UVNPJKFWGLZXDE-JDNHERCYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ij6FWddUsYg
Name (1R,4R)-1-hydroxy-1-isopropyl-6-methoxy-4,7-dimethyl-3,4-dihydronaphthalen-2(1H)-one
Appearance White crystals
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Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-8(2)16(19)11-6-10(4)15(20-5)14(18)13(11)9(3)7-12(16)17/h6,8-9,18-19H,7H2,1-5H3/t9-,16-/m1/s1
InChIKey UVNPJKFWGLZXDE-JDNHERCYSA-N
Instrument Name Finnigan MAT TSQ-700
Ionization Type EI
Literature Reference DOI 10.1021/np020024e
Molecular Weight 278.348 g/mol
Optical Rotation [a]D20 = +30 (c = 0.2, CHCl3)
Reported Formula C16H22O4
SMILES O[C@]1(C(C[C@](c2c1cc(c(c2O)OC)C)(C)[H])=O)C(C)C
SPLASH splash10-059j-5390000000-7e7a34bd5a19ac891b08
Source of Spectrum G4-65-1334-1
Synonyms Mansonone N
Wiley ID 1883838