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Butyl 3,5-dimethyl-1-adamantanecarboxylate
SpectraBase Compound ID 8hkakXbTUjx
InChI InChI=1S/C17H28O2/c1-4-5-6-19-14(18)17-9-13-7-15(2,11-17)10-16(3,8-13)12-17/h13H,4-12H2,1-3H3/t13-,15+,16-,17-
InChIKey PBTSLBCLHAERNM-BGOPPPGBSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcznHKPCerI
Name Butyl 3,5-dimethyl-1-adamantanecarboxylate
CAS Registry Number 107995-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-4-5-6-19-14(18)17-9-13-7-15(2,11-17)10-16(3,8-13)12-17/h13H,4-12H2,1-3H3/t13-,15+,16-,17-
InChIKey PBTSLBCLHAERNM-BGOPPPGBSA-N
Molecular Weight 264.409 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2)(C[C@](C1)(C3)[H])C(=O)OCCCC)C)C
SPLASH splash10-08fr-0930000000-d0875251160fb2fc6d16
Source of Spectrum NP-7-9689-0
Synonyms 1,3-Dimethyladamantan-5-carboxylic acid, butyl ester 3,5-Dimethyl-1-adamantanecarboxylic acid butyl ester Butyl 3,5-dimethyladamantane-1-carboxylate
Wiley ID 1106968