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1,3-Dithiane derivative of 6-acetoxycitronellal
SpectraBase Compound ID L1phVFD4vV9
InChI InChI=1S/C15H26O2S2/c1-11(2)14(17-13(4)16)7-6-12(3)10-15-18-8-5-9-19-15/h12,15H,5-10H2,1-4H3/t12-/m0/s1
InChIKey VXJKSSCQKAUSJG-LBPRGKRZSA-N
Mol Weight 302.49 g/mol
Molecular Formula C15H26O2S2
Exact Mass 302.137422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fhxcx4yFpmm
Name 1,3-Dithiane derivative of 6-acetoxycitronellal
Alternate Name(s) 1-[(3S)-4-(1,3-dithian-2-yl)-3-methylbutyl]-2-methyl-1-propenyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O2S2
InChI InChI=1S/C15H26O2S2/c1-11(2)14(17-13(4)16)7-6-12(3)10-15-18-8-5-9-19-15/h12,15H,5-10H2,1-4H3/t12-/m0/s1
InChIKey VXJKSSCQKAUSJG-LBPRGKRZSA-N
Molecular Weight 302.491 g/mol
SMILES C(OC(=O)C)(=C(C)C)CC[C@@](CC1SCCCS1)(C)[H]
SPLASH splash10-014l-8900000000-77fe04c5ae42a205aceb
Source of Spectrum D3-1980-317-13
Wiley ID 1304442