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(.alpha.'S,2R)-2-(5'-Benzyloxy-3'-bromo-2'-methoxy-.alpha.'-methylbenzyloxy)propanol
SpectraBase Compound ID 2VMBcaUcxle
InChI InChI=1S/C19H23BrO4/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/h4-10,13-14,21H,11-12H2,1-3H3/t13-,14+/m1/s1
InChIKey QAOIZPJTHAQRQD-KGLIPLIRSA-N
Mol Weight 395.29 g/mol
Molecular Formula C19H23BrO4
Exact Mass 394.077972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8h8Q6qeMHB
Name (.alpha.'S,2R)-2-(5'-Benzyloxy-3'-bromo-2'-methoxy-.alpha.'-methylbenzyloxy)propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.077972217 u
Formula C19H23BrO4
InChI InChI=1S/C19H23BrO4/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/h4-10,13-14,21H,11-12H2,1-3H3/t13-,14+/m1/s1
InChIKey QAOIZPJTHAQRQD-KGLIPLIRSA-N
Instrument Name Hewlett Packard 5986
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.911
Molecular Weight 395.293 g/mol
Optical Rotation [a]D = -57.5 (c = 1.0, CHCl3)
Quality 162
SMILES OC[C@](O[C@](C=1C(=C(C=C(C1)OCC1=CC=CC=C1)Br)OC)(C)[H])(C)[H]
SPLASH splash10-0006-9001000000-ea031a1cad829310646f
Source of Spectrum ARK-2002-112-29 (DOI: 10.3998/ark.5550190.0003.911)
Wiley ID 1904842