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2-Dodecanoyl-3,6-dihydroxy-2-cyclohexen-1-one
SpectraBase Compound ID 9zPbZ5ju2N6
InChI InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-14(19)17-15(20)12-13-16(21)18(17)22/h16,20-21H,2-13H2,1H3
InChIKey NLHWOBKQPQYJKY-UHFFFAOYSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DpQ822djLb
Name 2-Dodecanoyl-3,6-dihydroxy-2-cyclohexen-1-one
CAS Registry Number 117968-74-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-14(19)17-15(20)12-13-16(21)18(17)22/h16,20-21H,2-13H2,1H3
InChIKey NLHWOBKQPQYJKY-UHFFFAOYSA-N
Molecular Weight 310.434 g/mol
SMILES OC1=C(C(C(CC1)O)=O)C(=O)CCCCCCCCCCC
SPLASH splash10-0a59-7901000000-77afd4b586e3e4915493
Source of Spectrum F-44-1595-1
Synonyms 2-Cyclohexen-3,6-diol-1-one, 2-dodecanoyl- 2-Dodecanoyl-3,6-bis(oxidanyl)cyclohex-2-en-1-one 2-Dodecanoyl-3,6-dihydroxy-cyclohex-2-en-1-one 3,6-Dihydroxy-2-(1-oxododecyl)-1-cyclohex-2-enone 3,6-Dihydroxy-2-lauroyl-cyclohex-2-en-1-one
Wiley ID 1311651