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4,7-Methano-1H-indene-1-carboxylic acid, octahydro-3a,7a-dimethyl-, [1S-(1.alpha.,3a.alpha.,4.beta.,7.beta.,7a.alpha.)]-
SpectraBase Compound ID KHDiez4InLB
InChI InChI=1S/C13H20O2/c1-12-6-5-10(11(14)15)13(12,2)9-4-3-8(12)7-9/h8-10H,3-7H2,1-2H3,(H,14,15)/t8-,9+,10-,12+,13+/m1/s1
InChIKey YIJZSZIBPOFNRT-WAPUPBOZSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxyZvXIotSP
Name 4,7-Methano-1H-indene-1-carboxylic acid, octahydro-3a,7a-dimethyl-, [1S-(1.alpha.,3a.alpha.,4.beta.,7.beta.,7a.alpha.)]-
CAS Registry Number 66649-10-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-12-6-5-10(11(14)15)13(12,2)9-4-3-8(12)7-9/h8-10H,3-7H2,1-2H3,(H,14,15)/t8-,9+,10-,12+,13+/m1/s1
InChIKey YIJZSZIBPOFNRT-WAPUPBOZSA-N
Molecular Weight 208.301 g/mol
SMILES OC([C@@]1([C@]2([C@]([C@@]3([H])C[C@@]2(CC3)[H])(CC1)C)C)[H])=O
SPLASH splash10-0a4l-0690000000-8db71b76dc2a47ef9bdf
Source of Spectrum K-112-420-0
Synonyms (1S,2S,3S,6S,7R)-2,6-dimethyltricyclo[5.2.1.0(2,6)]decane-3-carboxylic acid 2,6-Dimethyl-exo-trycyclo(5.2.1.0**2,6)decane-3-endo-carboxylic acid
Wiley ID 1207191