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(1S,2R,5R)-2,6,6,7,7-pentamethyl-3-oxabicyclo[3.2.0]heptan-4-one
SpectraBase Compound ID n6hZ5InHLL
InChI InChI=1S/C11H18O2/c1-6-7-8(9(12)13-6)11(4,5)10(7,2)3/h6-8H,1-5H3/t6-,7+,8+/m1/s1
InChIKey NPYGMLGACHMZNE-CSMHCCOUSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaRgRs9vs0b
Name (1S,2R,5R)-2,6,6,7,7-pentamethyl-3-oxabicyclo[3.2.0]heptan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-6-7-8(9(12)13-6)11(4,5)10(7,2)3/h6-8H,1-5H3/t6-,7+,8+/m1/s1
InChIKey NPYGMLGACHMZNE-CSMHCCOUSA-N
Molecular Weight 182.263 g/mol
SMILES [C@]12(C(C)(C)C([C@]2([C@@](C)(OC1=O)[H])[H])(C)C)[H]
SPLASH splash10-001i-6900000000-f0f9703a6558e22c2a6e
Source of Spectrum QC-2-1397-6
Wiley ID 883004