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cis-2-Methylhexan-4-olide
SpectraBase Compound ID HhknQrYD48R
InChI InChI=1S/C7H12O2/c1-3-6-4-5(2)7(8)9-6/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKey YTALMPUNNICJOM-NTSWFWBYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TzWiD6Go4
Name cis-2-Methylhexan-4-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-3-6-4-5(2)7(8)9-6/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKey YTALMPUNNICJOM-NTSWFWBYSA-N
Instrument Name HP7890A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.106
Molecular Weight 128.171 g/mol
SMILES [C@@]1(C[C@@](C(O1)=O)(C)[H])(CC)[H]
SPLASH splash10-052o-9000000000-5e2fb3f2a4ffc3063cf2
Source of Spectrum BJO-8-948-9
Thin-Layer Chromatography Rf = 0.36 (hexane/ethyl acetate, 3:1)
Wiley ID 1864878