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2-Isopropyl-5-methylhexahydro-4H-1,3-benzodioxin-4-one
SpectraBase Compound ID BG33MvWeEA6
InChI InChI=1S/C12H20O3/c1-7(2)12-14-9-6-4-5-8(3)10(9)11(13)15-12/h7-10,12H,4-6H2,1-3H3
InChIKey XKPKBPRMTQWXQU-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vUR9VRUwsw
Name 2-Isopropyl-5-methylhexahydro-4H-1,3-benzodioxin-4-one
CAS Registry Number 124899-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-7(2)12-14-9-6-4-5-8(3)10(9)11(13)15-12/h7-10,12H,4-6H2,1-3H3
InChIKey XKPKBPRMTQWXQU-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C12C(CCCC2C)OC(OC1=O)C(C)C
SPLASH splash10-007k-9200000000-b6dd09c596577a89662d
Source of Spectrum CM-1999-12253-0
Synonyms 2,4-Dioxabicyclo[4.4.0]decan-5-one, 3-isobutyl-7-methyl-, (1R,3S,6R) 2-isopropyl-5-methyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-4-one 5-Methyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-4-one
Wiley ID 474607