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2-Butanone, 4-[3,3,7-trimethyl-7-(1-methylethoxy)-2-oxepanylidene]-
SpectraBase Compound ID 4MAq5VCI3fM
InChI InChI=1S/C16H28O3/c1-12(2)18-16(6)11-7-10-15(4,5)14(19-16)9-8-13(3)17/h9,12H,7-8,10-11H2,1-6H3/b14-9+
InChIKey GGDSGQPVXOTLEA-NTEUORMPSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UaWg61nkdL
Name 2-Butanone, 4-[3,3,7-trimethyl-7-(1-methylethoxy)-2-oxepanylidene]-
CAS Registry Number 128917-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-12(2)18-16(6)11-7-10-15(4,5)14(19-16)9-8-13(3)17/h9,12H,7-8,10-11H2,1-6H3/b14-9+
InChIKey GGDSGQPVXOTLEA-NTEUORMPSA-N
Molecular Weight 268.397 g/mol
SMILES C1(O\C(C(CCC1)(C)C)=C/CC(=O)C)(OC(C)C)C
SPLASH splash10-0006-9300000000-903c042cdad243e0d73d
Source of Spectrum KC-1990-860-18
Synonyms Oxepane, 2-butanone deriv. (4E)-4-(7-isopropoxy-3,3,7-trimethyl-2-oxepanylidene)-2-butanone 4-(3'-Isopropyl-3',7',7'-trimethyl-2'-oxacycloheptylidene)-butan-2-one
Wiley ID 1272417