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cis-2-Phenylcyclohexano-14-crown-4
SpectraBase Compound ID LSAD4ffYqst
InChI InChI=1S/C20H30O4/c1-2-8-18(9-3-1)20-11-5-4-10-19(20)23-14-6-12-21-16-17-22-13-7-15-24-20/h1-3,8-9,19H,4-7,10-17H2/t19-,20-/m1/s1
InChIKey HSVIWGLQXGVEMU-WOJBJXKFSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cDRqZ207cY
Name cis-2-Phenylcyclohexano-14-crown-4
Alternate Name(s) (12aR,16aR)-12a-phenyldodecahydro-2H,9H-1,5,8,12-benzotetraoxacyclotetradecin (4aR,16aR)-4a-Phenyl-dodecahydro-5,9,12,16-tetraoxa-benzocyclotetradecene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-2-8-18(9-3-1)20-11-5-4-10-19(20)23-14-6-12-21-16-17-22-13-7-15-24-20/h1-3,8-9,19H,4-7,10-17H2/t19-,20-/m1/s1
InChIKey HSVIWGLQXGVEMU-WOJBJXKFSA-N
Molecular Weight 334.456 g/mol
SMILES [C@@]12(OCCCOCCOCCCO[C@@]2(CCCC1)[H])c1ccccc1
SPLASH splash10-0a4i-0903000000-15e26681048f52253d4c
Source of Spectrum KC-0-491-3
Wiley ID 824388