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1,2,6,7,8,9,10,11-octahydro-1,5-hexanocycloocta[d]oxepine
SpectraBase Compound ID LmnmS9qpWL6
InChI InChI=1S/C18H28O/c1-2-6-10-16-14-19-13-15(9-5-1)17-11-7-3-4-8-12-18(16)17/h13,16H,1-12,14H2
InChIKey PBEQHDSALILMSL-UHFFFAOYSA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6D2WgjYrULZ
Name 1,2,6,7,8,9,10,11-octahydro-1,5-hexanocycloocta[d]oxepine
Alternate Name(s) 18-oxatricyclo[8.6.3.0(2,9)]nonadeca-1(17),2(9)-diene
CAS Registry Number 130760-44-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O
InChI InChI=1S/C18H28O/c1-2-6-10-16-14-19-13-15(9-5-1)17-11-7-3-4-8-12-18(16)17/h13,16H,1-12,14H2
InChIKey PBEQHDSALILMSL-UHFFFAOYSA-N
Molecular Weight 260.421 g/mol
SMILES C12=C(C3COC=C2CCCCCC3)CCCCCC1
SPLASH splash10-0bt9-9080000000-108457d56b5a485d55d7
Source of Spectrum K-124-929-7
Wiley ID 1264307