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trans-methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate
SpectraBase Compound ID 8R5EIzZC7VQ
InChI InChI=1S/C13H16O4/c1-13(2)16-10(9-7-5-4-6-8-9)11(17-13)12(14)15-3/h4-8,10-11H,1-3H3/t10-,11+/m1/s1
InChIKey ATJYPZWFJIJBKL-MNOVXSKESA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8noYrWAs16j
Name trans-methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-13(2)16-10(9-7-5-4-6-8-9)11(17-13)12(14)15-3/h4-8,10-11H,1-3H3/t10-,11+/m1/s1
InChIKey ATJYPZWFJIJBKL-MNOVXSKESA-N
Instrument Name Thermo Fisher TRACE 1300 ISQ QD
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cctc.201901045
Molecular Weight 236.267 g/mol
SMILES c1cccc(c1)[C@@]1([C@](OC(O1)(C)C)(C(OC)=O)[H])[H]
SPLASH splash10-00dl-9600000000-38b47906a989f1906460
Sample Comments dr = 1.6:1
Source of Spectrum CCC-11-SM46-trans-9k
Wiley ID 1836881