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MUBLYIKZGKHTMF-CLFVBBPSSA-N
SpectraBase Compound ID Ch9aLroyyPX
InChI InChI=1S/C18H20O4/c1-9-5-12-7-16(21)17(22)8-13(12)18(10(9)2)11-3-4-14(19)15(20)6-11/h3-4,6-10,18-22H,5H2,1-2H3/t9-,10-,18-/m1/s1
InChIKey MUBLYIKZGKHTMF-CLFVBBPSSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DH9H8fVNQ
Name (1R,2R,3R)-1-(3,4-dihydroxyphenyl)-2,3-dimethyl-tetralin-6,7-diol
Alternate Name(s) (5R,6R,7R)-5-(3,4-dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol (5R,6R,7R)-5-[3,4-bis(oxidanyl)phenyl]-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
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Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-9-5-12-7-16(21)17(22)8-13(12)18(10(9)2)11-3-4-14(19)15(20)6-11/h3-4,6-10,18-22H,5H2,1-2H3/t9-,10-,18-/m1/s1
InChIKey MUBLYIKZGKHTMF-CLFVBBPSSA-N
Molecular Weight 300.354 g/mol
SMILES Oc1cc([C@@]2(c3cc(c(cc3C[C@]([C@]2(C)[H])(C)[H])O)O)[H])ccc1O
SPLASH splash10-0fbc-0295000000-ad445f7106576ba82f2c
Source of Spectrum X2-52-1116-1
Wiley ID 1603271