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3-Hydroxy-4-acetylhexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecane
SpectraBase Compound ID HjrVX2gRlS6
InChI InChI=1S/C14H16O2/c1-3(15)11-10-7-4-2-5-8-6(4)9(10)13(8)14(11,16)12(5)7/h4-13,16H,2H2,1H3
InChIKey DCOQEKJZYDSMPB-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIbOfmH12Yn
Name 3-Hydroxy-4-acetylhexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecane
CAS Registry Number 120789-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-3(15)11-10-7-4-2-5-8-6(4)9(10)13(8)14(11,16)12(5)7/h4-13,16H,2H2,1H3
InChIKey DCOQEKJZYDSMPB-UHFFFAOYSA-N
Molecular Weight 216.280 g/mol
SMILES OC12C3C4C5CC3C3C1C(C4C2C(=O)C)C53
SPLASH splash10-052f-9700000000-34e6229033ea1fdaa753
Source of Spectrum J-54-3228-7
Synonyms 1-(4-hydroxyhexacyclo[5.4.1.0(2,6).0(3,10).0(4,8).0(9,12)]dodec-5-yl)ethanone
Wiley ID 1215894