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(+)-Benzyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]-dioxole-4-carboxylate

View entire compound with spectra: 1 MS (GC)

(+)-Benzyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]-dioxole-4-carboxylate
SpectraBase Compound ID 4afwVEQPXgO
InChI InChI=1S/C17H18O4/c1-17(2)20-14-10-6-9-13(15(14)21-17)16(18)19-11-12-7-4-3-5-8-12/h3-10,14-15H,11H2,1-2H3/t14-,15+/m0/s1
InChIKey PPFPAUOYVFIUDL-LSDHHAIUSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWqeUlEyF1d
Name (+)-Benzyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]-dioxole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-17(2)20-14-10-6-9-13(15(14)21-17)16(18)19-11-12-7-4-3-5-8-12/h3-10,14-15H,11H2,1-2H3/t14-,15+/m0/s1
InChIKey PPFPAUOYVFIUDL-LSDHHAIUSA-N
Literature Reference DOI 10.1039/c4ob01417k
Molecular Weight 286.327 g/mol
SMILES C1(O[C@@]2([C@@](C(=CC=C2)C(=O)OCc2ccccc2)(O1)[H])[H])(C)C
SPLASH splash10-0006-9000000000-226f80f3e24409dbc7d8
Source of Spectrum F5-12-7817-29
Synonyms (3aR,7aS)-benzyl 2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole-4-carboxylate
Wiley ID 1748297