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Hexyl 3,5-dimethyl-1-adamantanecarboxylate
SpectraBase Compound ID Ant3e8gg0Wd
InChI InChI=1S/C19H32O2/c1-4-5-6-7-8-21-16(20)19-11-15-9-17(2,13-19)12-18(3,10-15)14-19/h15H,4-14H2,1-3H3/t15-,17+,18-,19-
InChIKey JESNUIITULUGLW-IDDHLTTGSA-N
Mol Weight 292.5 g/mol
Molecular Formula C19H32O2
Exact Mass 292.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dwy8hJGLAbB
Name Hexyl 3,5-dimethyl-1-adamantanecarboxylate
CAS Registry Number 107995-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-4-5-6-7-8-21-16(20)19-11-15-9-17(2,13-19)12-18(3,10-15)14-19/h15H,4-14H2,1-3H3/t15-,17+,18-,19-
InChIKey JESNUIITULUGLW-IDDHLTTGSA-N
Molecular Weight 292.463 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2)(C[C@](C1)(C3)[H])C(=O)OCCCCCC)C)C
SPLASH splash10-0bt9-0940000000-67b0ff35bb02f2008d16
Source of Spectrum NP-9-6522-0
Synonyms 1,3-Dimethyladamantan-5-carboxylic acid, n-hexyl ester 3,5-Dimethyl-1-adamantanecarboxylic acid hexyl ester Hexyl 3,5-dimethyladamantane-1-carboxylate
Wiley ID 1108273