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(6S,7R)-6,7-Methylenehaptadecanoic acid
SpectraBase Compound ID CCqmH3463Bm
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-12-16-15-17(16)13-10-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1
InChIKey ITCOQULCCHTBBU-SJORKVTESA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GIHShuyP29
Name (6S,7R)-6,7-Methylenehaptadecanoic acid
Alternate Name(s) 5-[(1S,2R)-2-decylcyclopropyl]pentanoic acid
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Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-12-16-15-17(16)13-10-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1
InChIKey ITCOQULCCHTBBU-SJORKVTESA-N
Molecular Weight 282.468 g/mol
SMILES OC(CCCC[C@]1(C[C@]1(CCCCCCCCCC)[H])[H])=O
SPLASH splash10-0ced-9100000000-194408b9cbb1c1a79148
Source of Spectrum U1-2002-3663-2
Wiley ID 1523314