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Neorautane
SpectraBase Compound ID KA6mNgm3Alj
InChI InChI=1S/C21H20O5/c1-21(2)4-3-11-5-13-16(7-15(11)26-21)22-9-14-12-6-18-19(24-10-23-18)8-17(12)25-20(13)14/h5-8,14,20H,3-4,9-10H2,1-2H3
InChIKey BGWFJLDAZBGWOL-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jgsnVeMRSO
Name Neorautane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-21(2)4-3-11-5-13-16(7-15(11)26-21)22-9-14-12-6-18-19(24-10-23-18)8-17(12)25-20(13)14/h5-8,14,20H,3-4,9-10H2,1-2H3
InChIKey BGWFJLDAZBGWOL-UHFFFAOYSA-N
Molecular Weight 352.386 g/mol
SMILES C12c3c(cc4c(c3)CCC(C)(C)O4)OCC2c2cc3OCOc3cc2O1
SPLASH splash10-0udi-0049000000-6834ae826bea7999d544
Source of Spectrum F-53-12627-1
Synonyms 3,3-Dimethyl-2,3,7a,13a-tetrahydro-1H,7H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]pyrano[3,2-g]chromene
Wiley ID 803554