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3-[(E)-prop-1-enyl]-1,5,5a,6,7,8,9,9a-octahydrobenzo[e][1,3]dioxepin
SpectraBase Compound ID 5srPkLtN5GC
InChI InChI=1S/C12H20O2/c1-2-5-12-13-8-10-6-3-4-7-11(10)9-14-12/h2,5,10-12H,3-4,6-9H2,1H3/b5-2+
InChIKey PWUPQWQQMRUTGZ-GORDUTHDSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2O7QIoInj6
Name 3-[(E)-prop-1-enyl]-1,5,5a,6,7,8,9,9a-octahydrobenzo[e][1,3]dioxepin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-2-5-12-13-8-10-6-3-4-7-11(10)9-14-12/h2,5,10-12H,3-4,6-9H2,1H3/b5-2+
InChIKey PWUPQWQQMRUTGZ-GORDUTHDSA-N
Molecular Weight 196.290 g/mol
SMILES C1(OCC2C(CO1)CCCC2)\C=C\C
SPLASH splash10-067l-9000000000-0f739a7fc70f44317904
Source of Spectrum KC-0-886-4
Synonyms 3-[(E)-prop-1-enyl]-1,5,5a,6,7,8,9,9a-octahydrobenzo[e][1,3]dioxepine
Wiley ID 824418