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6,7,8,9,10,11,12,13,14,15-decahydro-1,5-hexanocyclododeca[d]oxepine
SpectraBase Compound ID 9cItoNK4P78
InChI InChI=1S/C22H34O/c1-2-4-6-12-16-22-20-14-10-8-7-9-13-19(17-23-18-20)21(22)15-11-5-3-1/h17-18H,1-16H2
InChIKey KEWGFGMIENMXPP-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C22H34O
Exact Mass 314.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBOvOTwRdQC
Name 6,7,8,9,10,11,12,13,14,15-decahydro-1,5-hexanocyclododeca[d]oxepine
Alternate Name(s) 22-oxatricyclo[12.6.3.0(2,13)]tricosa-1(21),2(13),14(23)-triene
CAS Registry Number 106710-78-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O
InChI InChI=1S/C22H34O/c1-2-4-6-12-16-22-20-14-10-8-7-9-13-19(17-23-18-20)21(22)15-11-5-3-1/h17-18H,1-16H2
InChIKey KEWGFGMIENMXPP-UHFFFAOYSA-N
Molecular Weight 314.513 g/mol
SMILES C12=C(C3=COC=C2CCCCCC3)CCCCCCCCCC1
SPLASH splash10-0udi-0903000000-35f21830c46343833c38
Source of Spectrum K-120-773-3
Wiley ID 1315703