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1,2,4-Ethanylylidenecyclobut[cd]indene-6-carboxylic acid, 1,1a,2,3,3a,4,6a,6b-octahydro-5-hydroxy-, ethyl ester, (.+-.)-
SpectraBase Compound ID Hi122Zw9uno
InChI InChI=1S/C15H18O3/c1-2-18-15(17)13-12-7-4-6-5-3-8(10(6)14(13)16)11(12)9(5)7/h5-13H,2-4H2,1H3/t5-,6-,7+,8+,9-,10-,11-,12+,13?/m1/s1
InChIKey KGKSTGLLYPFFIH-IRWBGPNBSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2KLIwWLtdC
Name 1,2,4-Ethanylylidenecyclobut[cd]indene-6-carboxylic acid, 1,1a,2,3,3a,4,6a,6b-octahydro-5-hydroxy-, ethyl ester, (.+-.)-
CAS Registry Number 127333-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-2-18-15(17)13-12-7-4-6-5-3-8(10(6)14(13)16)11(12)9(5)7/h5-13H,2-4H2,1H3/t5-,6-,7+,8+,9-,10-,11-,12+,13?/m1/s1
InChIKey KGKSTGLLYPFFIH-IRWBGPNBSA-N
Molecular Weight 246.306 g/mol
SMILES C1(C([C@@]2([C@@]3(C[C@]4([C@]5([C@@]3(C[C@@]2([C@]5([C@@]14[H])[H])[H])[H])[H])[H])[H])[H])=O)C(=O)OCC
SPLASH splash10-0a4i-9800000000-47756c29b5d99bcad03c
Source of Spectrum J-55-3497-17
Synonyms Ethyl 11-oxopentacyclo[5.5.0.0(2,6).0(3,10).0(5,9)]dodecane-12-carboxylate Ethyl 3-oxopentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecane-2-carboxylate
Wiley ID 1249220