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Pentanoic acid, 2-[[2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]methylene]-5-oxo-, methyl ester, [1S-[1.alpha.(Z),3.alpha.]]-
SpectraBase Compound ID 8UPkTXhR5O2
InChI InChI=1S/C16H24O4/c1-11(18)7-8-13-14(16(13,2)3)10-12(6-5-9-17)15(19)20-4/h9-10,13-14H,5-8H2,1-4H3/b12-10-/t13-,14+/m1/s1
InChIKey XWOXHRODXNSWKY-XQPOUDKPSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpgZJ383t0p
Name Pentanoic acid, 2-[[2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]methylene]-5-oxo-, methyl ester, [1S-[1.alpha.(Z),3.alpha.]]-
Alternate Name(s) Methyl (2Z)-3-[(1S,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-2-(3-oxopropyl)-2-propenoate
CAS Registry Number 123620-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-11(18)7-8-13-14(16(13,2)3)10-12(6-5-9-17)15(19)20-4/h9-10,13-14H,5-8H2,1-4H3/b12-10-/t13-,14+/m1/s1
InChIKey XWOXHRODXNSWKY-XQPOUDKPSA-N
Molecular Weight 280.364 g/mol
SMILES [C@@]1(C(C)(C)[C@@]1(CCC(=O)C)[H])(\C=C/(C(=O)OC)CCC=O)[H]
SPLASH splash10-05mo-7920000000-b2afe5d8f6f26d3edfc8
Source of Spectrum J-55-132-0
Wiley ID 1283972