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((3aS,4R,6R,6aR)-2,2-Dimethyl-6-phenyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl benzoate

View entire compound with spectra: 1 MS (GC)

((3aS,4R,6R,6aR)-2,2-Dimethyl-6-phenyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl benzoate
SpectraBase Compound ID 4itQs5dTrz3
InChI InChI=1S/C21H22O5/c1-21(2)25-18-16(13-9-5-4-6-10-13)24-17(19(18)26-21)14-11-7-8-12-15(14)20(22)23-3/h4-12,16-19H,1-3H3/t16-,17-,18-,19+/m0/s1
InChIKey KXLCVGFSEPDUPX-CADBVGFASA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAjobCPolf
Name ((3aS,4R,6R,6aR)-2,2-Dimethyl-6-phenyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl benzoate
Alternate Name(s) Methyl 2-((3aR,4S,6S,6aS)-2,2-dimethyl-6-phenyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-21(2)25-18-16(13-9-5-4-6-10-13)24-17(19(18)26-21)14-11-7-8-12-15(14)20(22)23-3/h4-12,16-19H,1-3H3/t16-,17-,18-,19+/m0/s1
InChIKey KXLCVGFSEPDUPX-CADBVGFASA-N
Literature Reference DOI 10.1021/jo401845q
Molecular Weight 354.402 g/mol
SMILES CC1(C)O[C@@]2([H])[C@]([C@](c3ccccc3)(O[C@]2(c2c(cccc2)C(=O)OC)[H])[H])(O1)[H]
SPLASH splash10-0aor-7900000000-09ab6123461bcc7fbeb1
Source of Spectrum J-78-11811-Table1,entry5
Wiley ID 1747258