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3-Heptene-2,6-dione, 5-methyl-5-(1-methylethyl)-, (E)-
SpectraBase Compound ID 5LflWfqWy6J
InChI InChI=1S/C11H18O2/c1-8(2)11(5,10(4)13)7-6-9(3)12/h6-8H,1-5H3/b7-6+
InChIKey OCGBCRPBNABNPN-VOTSOKGWSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VrXhZ3xb0F
Name 3-Heptene-2,6-dione, 5-methyl-5-(1-methylethyl)-, (E)-
CAS Registry Number 60845-39-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-8(2)11(5,10(4)13)7-6-9(3)12/h6-8H,1-5H3/b7-6+
InChIKey OCGBCRPBNABNPN-VOTSOKGWSA-N
Molecular Weight 182.263 g/mol
SMILES C(\C=C\C(=O)C)(C(=O)C)(C(C)C)C
SPLASH splash10-0006-9400000000-838eb75183e1bbd7ed70
Source of Spectrum H-59-1268-4
Synonyms (3E)-5-isopropyl-5-methyl-3-heptene-2,6-dione (E)-5-Isopropyl-5-methyl-hept-3-en-2,6-dione
Wiley ID 1178643