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Bicyclo[3.2.1]octane-6,7-dicarboxylic acid, 8-(benzoyloxy)-2-oxo-, dimethyl ester, (6-exo,7-endo,8-anti)-(.+-.)-
SpectraBase Compound ID 34Y002ZeMAv
InChI InChI=1S/C19H20O7/c1-24-18(22)13-11-8-9-12(20)14(15(13)19(23)25-2)16(11)26-17(21)10-6-4-3-5-7-10/h3-7,11,13-16H,8-9H2,1-2H3/t11-,13+,14-,15-,16-/m0/s1
InChIKey VKOLECDSTUSLMA-TXUJKZCJSA-N
Mol Weight 360.36 g/mol
Molecular Formula C19H20O7
Exact Mass 360.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JauQcTVROn9
Name Bicyclo[3.2.1]octane-6,7-dicarboxylic acid, 8-(benzoyloxy)-2-oxo-, dimethyl ester, (6-exo,7-endo,8-anti)-(.+-.)-
CAS Registry Number 119756-52-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O7
InChI InChI=1S/C19H20O7/c1-24-18(22)13-11-8-9-12(20)14(15(13)19(23)25-2)16(11)26-17(21)10-6-4-3-5-7-10/h3-7,11,13-16H,8-9H2,1-2H3/t11-,13+,14-,15-,16-/m0/s1
InChIKey VKOLECDSTUSLMA-TXUJKZCJSA-N
Molecular Weight 360.362 g/mol
SMILES [C@@]12([C@]([C@]([C@]([C@@]2(C(=O)OC)[H])(C(=O)OC)[H])(CCC1=O)[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0udi-0900000000-578a8ab0a869e2d0bec4
Source of Spectrum F-44-3938-0
Synonyms Dimethyl 8(SR)-benzoyloxybicyclo[3.2.1]octan-5-one-2(RS),3(RS)-dicarboxylate dimethyl 8-(benzoyloxy)-2-oxobicyclo[3.2.1]octane-6,7-dicarboxylate
Wiley ID 1348260