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(1S,3S)-3-Acetyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1,3-diyl phenylboronate
SpectraBase Compound ID 4APwknH8Aac
InChI InChI=1S/C20H21BO5/c1-13(22)20-11-15-16(23-2)9-10-17(24-3)19(15)18(12-20)25-21(26-20)14-7-5-4-6-8-14/h4-10,18H,11-12H2,1-3H3/t18-,20-/m0/s1
InChIKey QXGIHTJNZAPYIU-ICSRJNTNSA-N
Mol Weight 352.2 g/mol
Molecular Formula C20H21BO5
Exact Mass 352.148204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eOpftPP80Z
Name (1S,3S)-3-Acetyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1,3-diyl phenylboronate
Alternate Name(s) 1-[(1S,9S)-3,6-dimethoxy-11-phenyl-10,12-dioxa-11-boratricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-9-yl]ethanone
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Formula C20H21BO5
InChI InChI=1S/C20H21BO5/c1-13(22)20-11-15-16(23-2)9-10-17(24-3)19(15)18(12-20)25-21(26-20)14-7-5-4-6-8-14/h4-10,18H,11-12H2,1-3H3/t18-,20-/m0/s1
InChIKey QXGIHTJNZAPYIU-ICSRJNTNSA-N
Molecular Weight 352.193 g/mol
SMILES [C@@]12(OB(c3ccccc3)O[C@](c3c(ccc(c3C1)OC)OC)(C2)[H])C(=O)C
SPLASH splash10-014i-0292000000-408bb95190d36e1f74f2
Source of Spectrum KC-61-1985-13
Wiley ID 1627876