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benzyl 4.beta.-dimethoxymethyl-2.alpha.,3.alpha.-(isopropylidendioxy)cyclopentane-1-carboxylate
SpectraBase Compound ID 4ZGDac8AbUP
InChI InChI=1S/C19H26O6/c1-19(2)24-15-13(10-14(16(15)25-19)18(21-3)22-4)17(20)23-11-12-8-6-5-7-9-12/h5-9,13-16,18H,10-11H2,1-4H3/t13?,14-,15-,16+/m1/s1
InChIKey VZRKNXOLRRELKQ-VIYLOZMYSA-N
Mol Weight 350.41 g/mol
Molecular Formula C19H26O6
Exact Mass 350.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIIn1SUCH44
Name benzyl 4.beta.-dimethoxymethyl-2.alpha.,3.alpha.-(isopropylidendioxy)cyclopentane-1-carboxylate
Alternate Name(s) benzyl (3aR,6R,6aS)-6-(dimethoxymethyl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylate
CAS Registry Number 104748-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O6
InChI InChI=1S/C19H26O6/c1-19(2)24-15-13(10-14(16(15)25-19)18(21-3)22-4)17(20)23-11-12-8-6-5-7-9-12/h5-9,13-16,18H,10-11H2,1-4H3/t13?,14-,15-,16+/m1/s1
InChIKey VZRKNXOLRRELKQ-VIYLOZMYSA-N
Molecular Weight 350.411 g/mol
SMILES [C@@]12(C(C[C@]([C@@]2(OC(O1)(C)C)[H])(C(OC)OC)[H])C(OCc1ccccc1)=O)[H]
SPLASH splash10-004l-9000000000-343a7739a7b8709d2e25
Source of Spectrum KC-1986-396-9
Wiley ID 1341932