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1,3-Dioxolo[4,5-g]isoquinoline-5-methanol, 5,6,7,8-tetrahydro-.alpha.-(3-hydroxy-4-methoxyphenyl)-6-methyl-, (R*,R*)-(.+-.)-
SpectraBase Compound ID KD2jAHmHEQz
InChI InChI=1S/C19H21NO5/c1-20-6-5-11-8-16-17(25-10-24-16)9-13(11)18(20)19(22)12-3-4-15(23-2)14(21)7-12/h3-4,7-9,18-19,21-22H,5-6,10H2,1-2H3/t18-,19-/m1/s1
InChIKey JQBBLCKUHXQZMT-RTBURBONSA-N
Mol Weight 343.38 g/mol
Molecular Formula C19H21NO5
Exact Mass 343.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HBNSLmyZcq
Name 1,3-Dioxolo[4,5-g]isoquinoline-5-methanol, 5,6,7,8-tetrahydro-.alpha.-(3-hydroxy-4-methoxyphenyl)-6-methyl-, (R*,R*)-(.+-.)-
Alternate Name(s) 5-{(R)-hydroxy[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}-2-methoxyphenol Threo-1-(.alpha.,3-dihydroxy-4-methoxybenzyl)-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline
CAS Registry Number 126262-39-3
Comments Less than 3 mono-isotopic peaks
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Formula C19H21NO5
InChI InChI=1S/C19H21NO5/c1-20-6-5-11-8-16-17(25-10-24-16)9-13(11)18(20)19(22)12-3-4-15(23-2)14(21)7-12/h3-4,7-9,18-19,21-22H,5-6,10H2,1-2H3/t18-,19-/m1/s1
InChIKey JQBBLCKUHXQZMT-RTBURBONSA-N
Molecular Weight 343.379 g/mol
SMILES Oc1cc([C@]([C@]2(c3c(cc4c(c3)OCO4)CCN2C)[H])(O)[H])ccc1OC
SPLASH splash10-0udl-0900000000-1dcb1e2790f6644384c3
Source of Spectrum B-42-2262-29
Wiley ID 1337290