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4,7-Methano-1H-indene-1-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-2-methyl-, methyl ester, (1.alpha.,2.alpha.,3a.beta.,4.beta.,7.beta.,7a.beta.)-
SpectraBase Compound ID 4SGWeCMhzVT
InChI InChI=1S/C13H18O2/c1-7-5-10-8-3-4-9(6-8)12(10)11(7)13(14)15-2/h3-4,7-12H,5-6H2,1-2H3/t7-,8-,9+,10-,11-,12+/m1/s1
InChIKey GDAXDKBYHMGPQL-RFHDDPBLSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Sid9jU7FT3
Name 4,7-Methano-1H-indene-1-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-2-methyl-, methyl ester, (1.alpha.,2.alpha.,3a.beta.,4.beta.,7.beta.,7a.beta.)-
Alternate Name(s) Methyl (1R,2R,3R,4R,6R,7S)-4-methyltricyclo[5.2.1.0(2,6)]dec-8-ene-3-carboxylate Methyl ester of 4c-methyltricyclo(5.2.1.0*2,6)dec-8-en-3-carboxylic acid
CAS Registry Number 68303-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-7-5-10-8-3-4-9(6-8)12(10)11(7)13(14)15-2/h3-4,7-12H,5-6H2,1-2H3/t7-,8-,9+,10-,11-,12+/m1/s1
InChIKey GDAXDKBYHMGPQL-RFHDDPBLSA-N
Molecular Weight 206.285 g/mol
SMILES [C@]12([C@](C[C@]([C@]2(C(=O)OC)[H])(C)[H])([C@@]2([H])C[C@@]1(C=C2)[H])[H])[H]
SPLASH splash10-067i-9510000000-046223e0c8732930a294
Source of Spectrum K-111-3270-0
Wiley ID 1204687