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2-Amino-4-(3,5-dimethoxy-4-pentyloxyphenyl)-4H-naphtho(1,2-b)pyran-3-carbonitrile
SpectraBase Compound ID 3GHUU9zx2zV
InChI InChI=1S/C27H28N2O4/c1-4-5-8-13-32-26-22(30-2)14-18(15-23(26)31-3)24-20-12-11-17-9-6-7-10-19(17)25(20)33-27(29)21(24)16-28/h6-7,9-12,14-15,24H,4-5,8,13,29H2,1-3H3
InChIKey RJKMVXBYJRMIEM-UHFFFAOYSA-N
Mol Weight 444.53 g/mol
Molecular Formula C27H28N2O4
Exact Mass 444.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNKZsda3EbR
Name 2-Amino-4-(3,5-dimethoxy-4-pentyloxyphenyl)-4H-naphtho(1,2-b)pyran-3-carbonitrile
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O4
InChI InChI=1S/C27H28N2O4/c1-4-5-8-13-32-26-22(30-2)14-18(15-23(26)31-3)24-20-12-11-17-9-6-7-10-19(17)25(20)33-27(29)21(24)16-28/h6-7,9-12,14-15,24H,4-5,8,13,29H2,1-3H3
InChIKey RJKMVXBYJRMIEM-UHFFFAOYSA-N
Instrument Name Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.2c00403
Molecular Weight 444.531 g/mol
SMILES NC=1Oc2c3c(ccc2C(C1C#N)c1cc(c(c(c1)OC)OCCCCC)OC)cccc3
SPLASH splash10-00di-1091100000-eb0df82e3fd43ceaecc0
Source of Spectrum MCS-13-SM7-3g
Wiley ID 1882388