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Benzeneethanamine, 2-(3,4-dihydro-1,7,8-trimethoxy-1H-2-benzopyran-3-yl)-4,5-dimethoxy-N ,N-dimethyl-, (1R-trans)-
SpectraBase Compound ID GuhHvUcU5rX
InChI InChI=1S/C24H33NO6/c1-25(2)11-10-15-12-20(27-4)21(28-5)14-17(15)19-13-16-8-9-18(26-3)23(29-6)22(16)24(30-7)31-19/h8-9,12,14,19,24H,10-11,13H2,1-7H3/t19-,24-/m1/s1
InChIKey YLUYGBLERBOKQE-NTKDMRAZSA-N
Mol Weight 431.5 g/mol
Molecular Formula C24H33NO6
Exact Mass 431.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IygKyEqCTSG
Name Benzeneethanamine, 2-(3,4-dihydro-1,7,8-trimethoxy-1H-2-benzopyran-3-yl)-4,5-dimethoxy-N ,N-dimethyl-, (1R-trans)-
CAS Registry Number 65286-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33NO6
InChI InChI=1S/C24H33NO6/c1-25(2)11-10-15-12-20(27-4)21(28-5)14-17(15)19-13-16-8-9-18(26-3)23(29-6)22(16)24(30-7)31-19/h8-9,12,14,19,24H,10-11,13H2,1-7H3/t19-,24-/m1/s1
InChIKey YLUYGBLERBOKQE-NTKDMRAZSA-N
Molecular Weight 431.529 g/mol
SMILES c12[C@@](O[C@](Cc2ccc(c1OC)OC)(c1c(cc(c(c1)OC)OC)CCN(C)C)[H])(OC)[H]
SPLASH splash10-05o0-3300900000-8b7401369e8b81928099
Source of Spectrum H-60-2422-0
Synonyms (1R,3R)-1,7,8-trimethoxy-3-(4,5-dimethoxy-2-(.beta.-dimethylaminoethyl)-phenyl)-isochromane 2-{4,5-dimethoxy-2-[(1R,3R)-1,7,8-trimethoxy-3,4-dihydro-1H-2-benzopyran-3-yl]phenyl}-N,N-dimethylethanamine N-(2-{4,5-dimethoxy-2-[(1R,3R)-1,7,8-trimethoxy-3,4-dihydro-1H-2-benzopyran-3-yl]phenyl}ethyl)-N,N-dimethylamine
Wiley ID 1381980