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2-Buten-1-one, 1-(1-hydroxycyclohexyl)-, acetate
SpectraBase Compound ID DC5sSYkvU4d
InChI InChI=1S/C12H18O3/c1-3-7-11(14)12(15-10(2)13)8-5-4-6-9-12/h3,7H,4-6,8-9H2,1-2H3/b7-3+
InChIKey JZNFUFLVAFGFGZ-XVNBXDOJSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ReQnZa5bqk
Name 2-Buten-1-one, 1-(1-hydroxycyclohexyl)-, acetate
Alternate Name(s) 2-Buten-1-one, 1-[1-(acetyloxy)cyclohexyl]- 1-(1'-Acetoxycyclohexyl)-2-buten-1-one 1-[(2E)-2-butenoyl]cyclohexyl acetate
CAS Registry Number 72252-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-3-7-11(14)12(15-10(2)13)8-5-4-6-9-12/h3,7H,4-6,8-9H2,1-2H3/b7-3+
InChIKey JZNFUFLVAFGFGZ-XVNBXDOJSA-N
Molecular Weight 210.273 g/mol
SMILES C1(OC(=O)C)(C(\C=C\C)=O)CCCCC1
SPLASH splash10-00ke-9000000000-b3ffc7f6eff49cc5d600
Source of Spectrum J-45-403-0
Wiley ID 1209154