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4,7-Methano-1H-indene-1,8-dicarboxylic acid, 3a,4,7,7a-tetrahydro-1,8-dimethyl-, 1-ethyl ester, (1.alpha.,3a.beta.,4.beta.,7.beta.,7a.beta.,8R*)-
SpectraBase Compound ID KTiyHL7NZYt
InChI InChI=1S/C16H20O4/c1-4-20-14(19)15(2)8-7-9-10-5-6-11(12(9)15)16(10,3)13(17)18/h5-12H,4H2,1-3H3,(H,17,18)/t9-,10+,11-,12-,15-,16-/m1/s1
InChIKey NXFQBEQWHWTQSU-YROBLNTJSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjzZR9TJPy3
Name 4,7-Methano-1H-indene-1,8-dicarboxylic acid, 3a,4,7,7a-tetrahydro-1,8-dimethyl-, 1-ethyl ester, (1.alpha.,3a.beta.,4.beta.,7.beta.,7a.beta.,8R*)-
Alternate Name(s) (1S,2R,5R,6R,7R,10R)-5-(ethoxycarbonyl)-5,10-dimethyltricyclo[5.2.1.0(2,6)]deca-3,8-diene-10-carboxylic acid 1-Ethyl hydrogen 3a,4,7,7a-tetrahydro-1,8-dimethyl-4,7-methano-1H-indene-1,4-dicarboxylate
CAS Registry Number 110677-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-4-20-14(19)15(2)8-7-9-10-5-6-11(12(9)15)16(10,3)13(17)18/h5-12H,4H2,1-3H3,(H,17,18)/t9-,10+,11-,12-,15-,16-/m1/s1
InChIKey NXFQBEQWHWTQSU-YROBLNTJSA-N
Molecular Weight 276.332 g/mol
SMILES OC([C@]1([C@]2([C@@]3([C@@](C(=O)OCC)(C)C=C[C@@]3([C@@]1(C=C2)[H])[H])[H])[H])C)=O
SPLASH splash10-0ugi-9740000000-a48f7727cfb583c90b25
Source of Spectrum H-70-591-10
Wiley ID 1280161