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seco-cularine

View entire compound with spectra: 1 MS (GC)

seco-cularine
SpectraBase Compound ID Fgg0dLFXtxJ
InChI InChI=1S/C21H25NO4/c1-22(2)11-10-14-7-9-17(23-3)21-16(14)8-6-15-12-19(24-4)20(25-5)13-18(15)26-21/h6-9,12-13H,10-11H2,1-5H3
InChIKey ZIEYKOGDJZHQIE-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aBbokJLgon
Name seco-cularine
Alternate Name(s) N,N-dimethyl-2-(2,3,10-trimethoxy-7-benzo[b][1]benzoxepinyl)ethanamine N,N-dimethyl-2-(2,3,10-trimethoxybenzo[b][1]benzoxepin-7-yl)ethanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-22(2)11-10-14-7-9-17(23-3)21-16(14)8-6-15-12-19(24-4)20(25-5)13-18(15)26-21/h6-9,12-13H,10-11H2,1-5H3
InChIKey ZIEYKOGDJZHQIE-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES c12Oc3c(C=Cc2c(CCN(C)C)ccc1OC)cc(c(c3)OC)OC
SPLASH splash10-0a4i-9000000000-2f742f7039614d00fcc7
Source of Spectrum X2-47-766-42
Wiley ID 1601495