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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 2tTCDTCzojw
Name (3aR,7aS)-2,2-Dimethyl-3a,7a-dihydro-benzo[1,3]dioxole-4-carboxylic acid ethyl ester
Alternate Name(s) 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
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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
Literature Reference DOI 10.1002/adsc.200900844
Molecular Weight 224.256 g/mol
SMILES CC1(C)O[C@]2(C=CC=C(C(OCC)=O)[C@]2(O1)[H])[H]
SPLASH splash10-00r7-8900000000-130a38f5c261272e21b5
Source of Spectrum ASC-352-195/SM4-4
Wiley ID 1763865