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(2S,5R)-2,5-dimethyl-heptan-5-olide
SpectraBase Compound ID f03h6uNjlO
InChI InChI=1S/C9H16O2/c1-4-9(3)6-5-7(2)8(10)11-9/h7H,4-6H2,1-3H3/t7-,9+/m0/s1
InChIKey KXMUUSMNMBIDHO-IONNQARKSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2H6G3VwCvbj
Name (2S,5R)-2,5-dimethyl-heptan-5-olide
Classification Delta valerolactones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-4-9(3)6-5-7(2)8(10)11-9/h7H,4-6H2,1-3H3/t7-,9+/m0/s1
InChIKey KXMUUSMNMBIDHO-IONNQARKSA-N
Molecular Weight 156.225 g/mol
Number of Peaks 16
SMILES C1C[C@@](CC)(OC([C@]1(C)[H])=O)C
SPLASH splash10-0596-9200000000-42ed5942f245540c9f64
Source of Spectrum FF-13-207-32_isomer_2 (DOI: 10.1002_(SICI)1099-1026(199805_06)13_3_203)
Synonyms (3S,6R)-6-ethyl-3,6-dimethyltetrahydro-2H-pyran-2-one
Wiley ID 1775178