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rel-(4S,5R)-1-(5-methylspiro[2.5]oct-6-en-4-yl)but-2-en-1-one
SpectraBase Compound ID KRiPbqgLFNv
InChI InChI=1S/C13H18O/c1-3-5-11(14)12-10(2)6-4-7-13(12)8-9-13/h3-6,10,12H,7-9H2,1-2H3/t10-,12-/m1/s1
InChIKey CTEBJNNBHTVTPX-ZYHUDNBSSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xYb879k1H6
Name rel-(4S,5R)-1-(5-methylspiro[2.5]oct-6-en-4-yl)but-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-3-5-11(14)12-10(2)6-4-7-13(12)8-9-13/h3-6,10,12H,7-9H2,1-2H3/t10-,12-/m1/s1
InChIKey CTEBJNNBHTVTPX-ZYHUDNBSSA-N
Ionization Type EI
Molecular Weight 190.286 g/mol
SMILES C(C=CC)(=O)[C@@]1(C2(CC2)CC=C[C@]1(C)[H])[H]
SPLASH splash10-00kf-9300000000-daaba0109ce9d31ba151
Source of Spectrum CN101679908A
Wiley ID 1841525