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(3aR,7aS)-2,2-Dimethyl-3a,7a-dihydro-benzo[1,3]dioxole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 2i8phgNCXmL
InChI InChI=1S/C12H16O4/c1-4-14-11(13)8-6-5-7-9-10(8)16-12(2,3)15-9/h5-7,9-10H,4H2,1-3H3/t9-,10+/m0/s1
InChIKey LPZGLPOHDHBEMB-VHSXEESVSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gPLGfenwW
Name (3aR,7aS)-2,2-Dimethyl-3a,7a-dihydro-benzo[1,3]dioxole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-4-14-11(13)8-6-5-7-9-10(8)16-12(2,3)15-9/h5-7,9-10H,4H2,1-3H3/t9-,10+/m0/s1
InChIKey LPZGLPOHDHBEMB-VHSXEESVSA-N
Molecular Weight 224.256 g/mol
SMILES C=1([C@]2(OC(C)(C)O[C@]2(C=CC1)[H])[H])C(=O)OCC
SPLASH splash10-024l-9530000000-1901c27911da6d946141
Source of Spectrum F5-7-2625-28
Synonyms Ethyl 2,2-dimethyl-3a,7a-dihydrobenzo[d]-(1,3)-dioxole-4-carboxylate (3aR,7aS)-ethyl 2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole-4-carboxylate Ethyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylate
Wiley ID 1696628