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(.alpha.'R and S,2R)-2-(5'-Benzyloxy-3'-chloro-2'-methoxy-.alpha.'-methylbenzyloxy)propanal
SpectraBase Compound ID LoqNOBtHvam
InChI InChI=1S/C19H21ClO4/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 NTJQSHHHEHPHDM-KWCCSABGSA-N
Mol Weight 348.83 g/mol
Molecular Formula C19H21ClO4
Exact Mass 348.112837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFYDzoWyvXd
Name (.alpha.'R and S,2R)-2-(5'-Benzyloxy-3'-chloro-2'-methoxy-.alpha.'-methylbenzyloxy)propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.112836852 u
Formula C19H21ClO4
InChI InChI=1S/C19H21ClO4/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 NTJQSHHHEHPHDM-KWCCSABGSA-N
Instrument Name Hewlett Packard 5986
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.911
Molecular Weight 348.826 g/mol
Quality 81
SMILES C1(=C(C(=CC(=C1)OCC1=CC=CC=C1)C(O[C@@](C=O)(C)[H])C)OC)Cl
SPLASH splash10-008j-0930000000-e470b77b0c7e1a73bf27
Sample Comments dr = 1:1
Source of Spectrum ARK-2002-116-35 (DOI: 10.3998/ark.5550190.0003.911)
Wiley ID 1904846