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Pentanoic acid, 2,4-dimethyl-, 1,1-dimethylethyl ester, (S)-
SpectraBase Compound ID 9tSAUSYfuZ7
InChI InChI=1S/C11H22O2/c1-8(2)7-9(3)10(12)13-11(4,5)6/h8-9H,7H2,1-6H3/t9-/m0/s1
InChIKey PJCVELDASPSMIA-VIFPVBQESA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81U4lIRh3ND
Name Pentanoic acid, 2,4-dimethyl-, 1,1-dimethylethyl ester, (S)-
CAS Registry Number 125427-69-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-8(2)7-9(3)10(12)13-11(4,5)6/h8-9H,7H2,1-6H3/t9-/m0/s1
InChIKey PJCVELDASPSMIA-VIFPVBQESA-N
Molecular Weight 186.295 g/mol
SMILES C(OC(C)(C)C)([C@](CC(C)C)(C)[H])=O
SPLASH splash10-0bt9-9300000000-59e19dc2e7ea32440cdb
Source of Spectrum F-45-6192-29
Synonyms t-Butyl 2,4-dimethylpentanoate tert-Butyl (2S)-2,4-dimethylpentanoate
Wiley ID 1183164