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3-(methoxymethyl)-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
SpectraBase Compound ID BhdHdIEC6i5
InChI InChI=1S/C16H22O3/c1-9-4-7-12-13(8-18-3)16(17)19-15(12)14-10(2)5-6-11(9)14/h11-15H,1-2,4-8H2,3H3/t11-,12-,13-,14-,15-/m0/s1
InChIKey ZNXSOKHFOMIGLF-YTFOTSKYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Imkp1KoL7hE
Name 3-(Methoxymethyl)-6,9-dimethylene-3A,4,5,6A,7,8,9A,9B-octahydro-3H-azuleno[4,5-B]furan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.156894565 u
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-9-4-7-12-13(8-18-3)16(17)19-15(12)14-10(2)5-6-11(9)14/h11-15H,1-2,4-8H2,3H3/t11-,12-,13-,14-,15-/m0/s1
InChIKey ZNXSOKHFOMIGLF-YTFOTSKYSA-N
Molecular Weight 262.349 g/mol
SMILES [C@]12(OC(=O)[C@]([C@@]2(CCC([C@]2([C@@]1(C(CC2)=C)[H])[H])=C)[H])(COC)[H])[H]