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Methyl (1R,2R,5S)-5-[3',3'-(ethylenedioxy)butyl]-2-methyl-6-methylidene-cycloheptanoate
SpectraBase Compound ID DiRxbcxQtuW
InChI InChI=1S/C17H28O4/c1-12-5-6-14(7-8-17(3)20-9-10-21-17)13(2)11-15(12)16(18)19-4/h12,14-15H,2,5-11H2,1,3-4H3/t12-,14+,15-/m1/s1
InChIKey YBHSCKNHKYXWNT-VHDGCEQUSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMzCPZnix2d
Name Methyl (1R,2R,5S)-5-[3',3'-(ethylenedioxy)butyl]-2-methyl-6-methylidene-cycloheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-12-5-6-14(7-8-17(3)20-9-10-21-17)13(2)11-15(12)16(18)19-4/h12,14-15H,2,5-11H2,1,3-4H3/t12-,14+,15-/m1/s1
InChIKey YBHSCKNHKYXWNT-VHDGCEQUSA-N
Molecular Weight 296.407 g/mol
SMILES C1(C[C@@](C(=O)OC)([C@](C)(CC[C@]1(CCC1(OCCO1)C)[H])[H])[H])=C
SPLASH splash10-000i-9000000000-50749d6d14ac559f6bcd
Source of Spectrum H-76-816-10
Synonyms Methyl (1R,2R,5S)-2-methyl-5-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-methylenecycloheptanecarboxylate
Wiley ID 1299206