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(2'R,3R)-4-(2'-tert-Butyl-4'-oxo-4'H-1',3'-dioxin-6-yl)-3-phenylbutyraldehyde
SpectraBase Compound ID Jpa9xU5biiu
InChI InChI=1S/C18H22O4/c1-18(2,3)17-21-15(12-16(20)22-17)11-14(9-10-19)13-7-5-4-6-8-13/h4-8,10,12,14,17H,9,11H2,1-3H3/t14-,17+/m0/s1
InChIKey LLVOCTDKTWLRTF-WMLDXEAASA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eQU6yXE9f4
Name (2'R,3R)-4-(2'-tert-Butyl-4'-oxo-4'H-1',3'-dioxin-6-yl)-3-phenylbutyraldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-18(2,3)17-21-15(12-16(20)22-17)11-14(9-10-19)13-7-5-4-6-8-13/h4-8,10,12,14,17H,9,11H2,1-3H3/t14-,17+/m0/s1
InChIKey LLVOCTDKTWLRTF-WMLDXEAASA-N
Literature Reference DOI 10.1002/cber.19911240823
Molecular Weight 302.370 g/mol
SMILES [C@@]1(OC(=CC(O1)=O)C[C@](CC=O)(c1ccccc1)[H])(C(C)(C)C)[H]
SPLASH splash10-001r-9000000000-1e147088d4fc1a432b42
Source of Spectrum K-124-1850-10a
Synonyms (R)-4-((R)-2-(tert-butyl)-4-oxo-4H-1,3-dioxin-6-yl)-3-phenylbutanal
Wiley ID 1792235