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isoperezone
SpectraBase Compound ID BVvLfTYk7pV
InChI InChI=1S/C15H20O3/c1-9(2)6-5-7-10(3)12-8-13(16)11(4)14(17)15(12)18/h6,8,10,17H,5,7H2,1-4H3/t10-/m1/s1
InChIKey HNRKPBAGNHFUNQ-SNVBAGLBSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKhlTL8jgO3
Name isoperezone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9(2)6-5-7-10(3)12-8-13(16)11(4)14(17)15(12)18/h6,8,10,17H,5,7H2,1-4H3/t10-/m1/s1
InChIKey HNRKPBAGNHFUNQ-SNVBAGLBSA-N
Instrument Name JEOL JMS-AX505HA
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(199705)11_8_904
Molecular Weight 248.322 g/mol
SMILES OC1=C(C(C=C(C1=O)[C@@](CCC=C(C)C)(C)[H])=O)C
SPLASH splash10-014i-0920000000-1282d5eef7df5290d188
Source of Spectrum RCM-11-905-2
Wiley ID 1837620