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7,9-Etheno-3-benzazecine-3(2H)-carbonitrile, 1,4,5,6,7,8-hexahydro-8-hydroxy-10,11-dimethoxy-
SpectraBase Compound ID EIHZqntbyBV
InChI InChI=1S/C18H22N2O3/c1-22-15-10-13-7-9-20(11-19)8-3-4-12-5-6-14(18(15)23-2)16(13)17(12)21/h5-6,10,12,17,21H,3-4,7-9H2,1-2H3/t12-,17?/m0/s1
InChIKey VQQDZCPYHZFAPY-WHUIICBVSA-N
Mol Weight 314.39 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OQ4ihZ7C1t
Name 7,9-Etheno-3-benzazecine-3(2H)-carbonitrile, 1,4,5,6,7,8-hexahydro-8-hydroxy-10,11-dimethoxy-
CAS Registry Number 105776-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-22-15-10-13-7-9-20(11-19)8-3-4-12-5-6-14(18(15)23-2)16(13)17(12)21/h5-6,10,12,17,21H,3-4,7-9H2,1-2H3/t12-,17?/m0/s1
InChIKey VQQDZCPYHZFAPY-WHUIICBVSA-N
Molecular Weight 314.385 g/mol
SMILES OC1c2c3C=C[C@@]1(CCCN(C#N)CCc2cc(c3OC)OC)[H]
SPLASH splash10-004l-0190000000-3485a90c2ba3ad8c5518
Source of Spectrum B-39-10-7
Synonyms 11-cyano-5,6-dimethoxy-11-azatricyclo[6.6.2.0(4,16)]hexadeca-2,4(16),5,7-tetraen-15-ol 11c-hydroxy-1,2-dimethoxy-4,5,6,7,8,9,9a,11c-octahydronaphth[1,8,7-def]azecine-6-carbonitrile
Wiley ID 1315149