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(1S,2R,5S)-2-Ethenyl-4-oxopinane
SpectraBase Compound ID AtwXK3nohP
InChI InChI=1S/C12H18O/c1-5-12(4)7-9(13)8-6-10(12)11(8,2)3/h5,8,10H,1,6-7H2,2-4H3/t8-,10+,12+/m1/s1
InChIKey UKOUVTROMKPGBE-QRTLGDNMSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AtWOO725Bm
Name (1S,2R,5S)-2-Ethenyl-4-oxopinane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-5-12(4)7-9(13)8-6-10(12)11(8,2)3/h5,8,10H,1,6-7H2,2-4H3/t8-,10+,12+/m1/s1
InChIKey UKOUVTROMKPGBE-QRTLGDNMSA-N
Molecular Weight 178.275 g/mol
SMILES C1([C@]2([C@](C=C)(C)CC([C@]1(C2)[H])=O)[H])(C)C
SPLASH splash10-053v-9400000000-ac419cd5c97e443724fd
Source of Spectrum J-56-4116-3
Synonyms (1S,4R,5S)-4,6,6-trimethyl-4-vinylbicyclo[3.1.1]heptan-2-one
Wiley ID 1174784