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6-d1-6-pentyl-dibenzo(d,f)(1,3)dioxepine
SpectraBase Compound ID 9KGijthRvZQ
InChI InChI=1S/C18H20O2/c1-2-3-4-13-18-19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20-18/h5-12,18H,2-4,13H2,1H3/i18D
InChIKey TVJABODBLVWHHP-VAAKKRCDSA-N
Mol Weight 269.36 g/mol
Molecular Formula C18H19DO2
Exact Mass 269.152607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DT67izC2gpN
Name 6-d1-6-pentyl-dibenzo(d,f)(1,3)dioxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19DO2
InChI InChI=1S/C18H20O2/c1-2-3-4-13-18-19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20-18/h5-12,18H,2-4,13H2,1H3/i18D
InChIKey TVJABODBLVWHHP-VAAKKRCDSA-N
Literature Reference DOI 10.1002/rcm.2974
Molecular Weight 269.362 g/mol
SMILES c1-2c(OC(Oc3c2cccc3)(CCCCC)[D])cccc1
SPLASH splash10-014i-0890000000-e99a71ba05b7cbab9fea
Source of Spectrum RCM-21-1418-4a
Synonyms 6-Pentyldibenzo[d,f][1,3]dioxepine-6-D
Wiley ID 1814431