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2,6,3,5-ethanediylideene-2h-pentaleno[1,6-bc]furan-2-acetic acid,octahydro-ethyl ester
SpectraBase Compound ID GQj3hFisPu0
InChI InChI=1S/C15H18O3/c1-2-17-7(16)4-15-6-3-5-8-9(6)14(18-15)12-10(8)11(12)13(5)15/h5-6,8-14H,2-4H2,1H3/t5-,6?,8+,9+,10-,11+,12-,13+,14-,15+/m1/s1
InChIKey IOPUSDPRFKCLCU-ALGSGCLESA-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 CohnppeX6DP
Name 2,6,3,5-ethanediylideene-2h-pentaleno[1,6-bc]furan-2-acetic acid,octahydro-ethyl ester
CAS Registry Number 101470-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-2-17-7(16)4-15-6-3-5-8-9(6)14(18-15)12-10(8)11(12)13(5)15/h5-6,8-14H,2-4H2,1H3/t5-,6?,8+,9+,10-,11+,12-,13+,14-,15+/m1/s1
InChIKey IOPUSDPRFKCLCU-ALGSGCLESA-N
Molecular Weight 246.306 g/mol
SMILES [C@@]12([C@@]3([C@]4([C@]5([C@@]6([C@](C2C[C@@]36[H])([C@]([C@@]45[H])(O1)[H])[H])[H])[H])[H])[H])CC(=O)OCC
SPLASH splash10-05fr-0900000000-b03770adb1e695ff2124
Source of Spectrum J-51-1899-5
Synonyms Ethyl 10-oxahexacyclo[6.4.0.0(2,12).0(3,7).0(4,11).0(5,9)]dodec-9-ylacetate
Wiley ID 1249206