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(1r,5s,6R,7S,9R,10S,11s,12r,13S,14R,16S,17R)-3-Oxaoctacyclo[8.7.0.0(1,5).0(5,13).0(6,11).0(7,9).0(12,17).0(14,16)]heptadecane-2,4-dione
SpectraBase Compound ID 7iYb5VsiOYc
InChI InChI=1S/C16H14O3/c17-13-15-9-3-1-4(3)10-7(9)8-11(15)5-2-6(5)12(8)16(10,15)14(18)19-13/h3-12H,1-2H2/t3-,4+,5+,6-,7+,8-,9+,10-,11-,12+,15+,16-
InChIKey GZHHLPDZHFMFNW-IFQKQZEASA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID En54hna0o6A
Name (1r,5s,6R,7S,9R,10S,11s,12r,13S,14R,16S,17R)-3-Oxaoctacyclo[8.7.0.0(1,5).0(5,13).0(6,11).0(7,9).0(12,17).0(14,16)]heptadecane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O3
InChI InChI=1S/C16H14O3/c17-13-15-9-3-1-4(3)10-7(9)8-11(15)5-2-6(5)12(8)16(10,15)14(18)19-13/h3-12H,1-2H2/t3-,4+,5+,6-,7+,8-,9+,10-,11-,12+,15+,16-
InChIKey GZHHLPDZHFMFNW-IFQKQZEASA-N
Literature Reference DOI 10.1002/cmdc.201000306
Molecular Weight 254.285 g/mol
SMILES [C@]12([C@]3([C@@]([C@@]4([C@]2([C@]2([C@@]5([C@]6([C@@]([C@]2([C@@]11[C@]45C(OC1=O)=O)[H])(C6)[H])[H])[H])[H])[H])[H])(C3)[H])[H])[H]
SPLASH splash10-014i-1910000000-07104299b7de8ef18fe2
Source of Spectrum CMC-5-2077-10
Wiley ID 1771644