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methyl(2RSm4SR)-4-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]=3,4-dihydro-2-(3-hydroxypropoxy)-2H-pyran-5-carboxylate
SpectraBase Compound ID 7IunxvPvS2m
InChI InChI=1S/C17H28O7/c1-17(2)10-23-15(24-11-17)8-12-7-14(21-6-4-5-18)22-9-13(12)16(19)20-3/h9,12,14-15,18H,4-8,10-11H2,1-3H3
InChIKey CYVSIYXBTUUGFR-UHFFFAOYSA-N
Mol Weight 344.4 g/mol
Molecular Formula C17H28O7
Exact Mass 344.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gWSQH3zUEx
Name methyl(2RSm4SR)-4-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]=3,4-dihydro-2-(3-hydroxypropoxy)-2H-pyran-5-carboxylate
CAS Registry Number 117960-96-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O7
InChI InChI=1S/C17H28O7/c1-17(2)10-23-15(24-11-17)8-12-7-14(21-6-4-5-18)22-9-13(12)16(19)20-3/h9,12,14-15,18H,4-8,10-11H2,1-3H3
InChIKey CYVSIYXBTUUGFR-UHFFFAOYSA-N
Molecular Weight 344.404 g/mol
SMILES OCCCOC1CC(C(=CO1)C(=O)OC)CC1OCC(CO1)(C)C
SPLASH splash10-004i-0901000000-a2deccf406bd9630d931
Source of Spectrum K-122-649-36
Synonyms methyl 4-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-2-(3-hydroxypropoxy)-3,4-dihydro-2H-pyran-5-carboxylate
Wiley ID 1337769