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2-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-2-hydroxy-8-methoxy-5-[2-(2-methyl-1,3-dioxolan-2- yl)ethyl]-, (.+-.)-
SpectraBase Compound ID DfXUpP1xBqK
InChI InChI=1S/C18H23NO4/c1-17(22-9-10-23-17)7-5-13-3-4-16(21-2)15-11-18(20,12-19)8-6-14(13)15/h3-4,20H,5-11H2,1-2H3
InChIKey RLIDLIWLRKEIDG-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hca2MeyY96
Name 2-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-2-hydroxy-8-methoxy-5-[2-(2-methyl-1,3-dioxolan-2- yl)ethyl]-, (.+-.)-
CAS Registry Number 80535-46-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-17(22-9-10-23-17)7-5-13-3-4-16(21-2)15-11-18(20,12-19)8-6-14(13)15/h3-4,20H,5-11H2,1-2H3
InChIKey RLIDLIWLRKEIDG-UHFFFAOYSA-N
Molecular Weight 317.385 g/mol
SMILES OC1(C#N)Cc2c(CC1)c(CCC1(OCCO1)C)ccc2OC
SPLASH splash10-000i-9020000000-09f488a72ad708a0a120
Source of Spectrum B-34-1893-0
Synonyms 2-Hydroxy-8-methoxy-5-[2'-(2''-methyl-1'',3''-dioxolan-2''-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carbonitrile 2-Hydroxy-8-methoxy-5-[2'-(2''-methyl-1'',3''-dioxolan-2''-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carbonitrile 2-hydroxy-8-methoxy-5-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2,3,4-tetrahydro-2-naphthalenecarbonitrile
Wiley ID 1317707