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5-(3-Oxobut-1-enyliden)-2,3-epoxycyclohexane-1,4-diyl Diacetate
SpectraBase Compound ID LJbi1uB0XjC
InChI InChI=1S/C14H16O6/c1-7(15)4-5-10-6-11(18-8(2)16)13-14(20-13)12(10)19-9(3)17/h4,11-14H,6H2,1-3H3/t5?,11-,12+,13+,14-/m1/s1
InChIKey BJRZXXFJVSDFKV-IYKCBVAZSA-N
Mol Weight 280.28 g/mol
Molecular Formula C14H16O6
Exact Mass 280.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dPjOdnQyhq
Name 5-(3-Oxobut-1-enyliden)-2,3-epoxycyclohexane-1,4-diyl Diacetate
CAS Registry Number 124886-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O6
InChI InChI=1S/C14H16O6/c1-7(15)4-5-10-6-11(18-8(2)16)13-14(20-13)12(10)19-9(3)17/h4,11-14H,6H2,1-3H3/t5?,11-,12+,13+,14-/m1/s1
InChIKey BJRZXXFJVSDFKV-IYKCBVAZSA-N
Molecular Weight 280.276 g/mol
SMILES [C@]12([C@]([C@](OC(=O)C)(CC([C@@]2(OC(=O)C)[H])=C=CC(=O)C)[H])(O1)[H])[H]
SPLASH splash10-0h03-3900000000-a09dab2cf7a3f06805eb
Source of Spectrum H-72-1267-1b
Wiley ID 1283602