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3,5-Dimethyladamantyl-1-acetic acid ethyl ester
SpectraBase Compound ID AwUOjHdQdHe
InChI InChI=1S/C16H26O2/c1-4-18-13(17)8-16-7-12-5-14(2,10-16)9-15(3,6-12)11-16/h12H,4-11H2,1-3H3/t12-,14+,15-,16-
InChIKey ACHGJRYLVJZDJF-GIHKGQPQSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BIOYHVMbya
Name 3,5-Dimethyladamantyl-1-acetic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-4-18-13(17)8-16-7-12-5-14(2,10-16)9-15(3,6-12)11-16/h12H,4-11H2,1-3H3/t12-,14+,15-,16-
InChIKey ACHGJRYLVJZDJF-GIHKGQPQSA-N
Molecular Weight 250.382 g/mol
SMILES [C@]12(C[C@]3(C)C[C@](C2)(C[C@](C1)(C3)C)[H])CC(=O)OCC
SPLASH splash10-03di-0900000000-bfbac1723601ac7b682f
Source of Spectrum IC-691-0-0
Synonyms Ethyl (3,5-dimethyl-1-adamantyl)acetate Ethyl 2-(3,5-dimethyl-1-adamantyl)acetate Ethyl 2-(3,5-dimethyl-1-adamantyl)ethanoate
Wiley ID 1253914