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(.alpha.'S,2R)-2-(5'-Benzyloxy-3'-bromo-2'-methoxy-.alpha.'-methylbenzyloxy)propan-al
SpectraBase Compound ID 2DpqP7b8S41
InChI InChI=1S/C19H21BrO4/c1-13(11-21)24-14(2)17-9-16(10-18(20)19(17)22-3)23-12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3/t13-,14+/m1/s1
InChIKey BCJGUXAAVAJZRT-KGLIPLIRSA-N
Mol Weight 393.28 g/mol
Molecular Formula C19H21BrO4
Exact Mass 392.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kgAGztnNoe
Name (.alpha.'S,2R)-2-(5'-Benzyloxy-3'-bromo-2'-methoxy-.alpha.'-methylbenzyloxy)propan-al
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.062322152 u
Formula C19H21BrO4
InChI InChI=1S/C19H21BrO4/c1-13(11-21)24-14(2)17-9-16(10-18(20)19(17)22-3)23-12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3/t13-,14+/m1/s1
InChIKey BCJGUXAAVAJZRT-KGLIPLIRSA-N
Instrument Name Hewlett Packard 5986
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.911
Molecular Weight 393.277 g/mol
Optical Rotation [a]D = -52.0 (c = 1.0, CHCl3)
Quality 94
SMILES C1(=C(C(=CC(=C1)OCC1=CC=CC=C1)[C@](C)(O[C@@](C=O)(C)[H])[H])OC)Br
SPLASH splash10-0006-9002000000-cd92248d0382cf2f1da1
Source of Spectrum ARK-2002-113-30 (DOI: 10.3998/ark.5550190.0003.911)
Wiley ID 1904843