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1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-phenyl-, (4S-trans)-
SpectraBase Compound ID DR5QsfcXJFA
InChI InChI=1S/C12H14O4/c1-12(2)15-9(10(16-12)11(13)14)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKey RYPDZFXEYVNJLN-ZJUUUORDSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBegRNd6Pvp
Name 1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-phenyl-, (4S-trans)-
Alternate Name(s) (4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylic acid (4S,5R)-trans-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-carboxylic acid
CAS Registry Number 130796-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-12(2)15-9(10(16-12)11(13)14)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKey RYPDZFXEYVNJLN-ZJUUUORDSA-N
Molecular Weight 222.240 g/mol
SMILES OC([C@@]1([C@](OC(O1)(C)C)(c1ccccc1)[H])[H])=O
SPLASH splash10-014l-3900000000-0d8c4e7a62a2d2905c8f
Source of Spectrum B-43-1210-0
Wiley ID 1222287