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trans-2,6-dimethyl-heptan-5-olide
SpectraBase Compound ID ESkcT37zUWD
InChI InChI=1S/C9H16O2/c1-6(2)8-5-4-7(3)9(10)11-8/h6-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKey UPQSCQVSTIUIMM-SFYZADRCSA-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 9uOMRNRJwuJ
Name trans-2,6-dimethyl-heptan-5-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-6(2)8-5-4-7(3)9(10)11-8/h6-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKey UPQSCQVSTIUIMM-SFYZADRCSA-N
Literature Reference DOI 10.1002_(SICI)1099-1026(199805_06)13_3_203
Molecular Weight 156.225 g/mol
SMILES C1C[C@@](C(C)C)(OC([C@@]1(C)[H])=O)[H]
SPLASH splash10-08g3-9300000000-f2f1626a0f0e81380213
Source of Spectrum FF-13-207-20
Synonyms (3R,6S)-6-isopropyl-3-methyltetrahydro-2H-pyran-2-one
Wiley ID 1775175