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3"n-Butyl[3]staffane-3-carboxylic acid
SpectraBase Compound ID D6taRHshyWF
InChI InChI=1S/C20H28O2/c1-2-3-4-15-5-17(6-15,7-15)19-11-20(12-19,13-19)18-8-16(9-18,10-18)14(21)22/h2-13H2,1H3,(H,21,22)
InChIKey RFQIVADITIDGDC-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jKMI0K1zSl
Name 3"n-Butyl[3]staffane-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-2-3-4-15-5-17(6-15,7-15)19-11-20(12-19,13-19)18-8-16(9-18,10-18)14(21)22/h2-13H2,1H3,(H,21,22)
InChIKey RFQIVADITIDGDC-UHFFFAOYSA-N
Molecular Weight 300.442 g/mol
SMILES OC(C12CC(C34CC(C4)(C45CC(C5)(CCCC)C4)C3)(C2)C1)=O
SPLASH splash10-0536-7900000000-ae816b0b7d3274ba5e2f
Source of Spectrum C-114-616-3
Synonyms 3-(3-{3-butylbicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentan-1-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
Wiley ID 1303376