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Butanoic acid, 4-(acetylamino)-, [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)-1(2H)-naphthalenylidene]methyl ester
SpectraBase Compound ID Ej7oi7v8Fck
InChI InChI=1S/C20H27NO8S/c1-13(22)21-9-5-6-20(23)29-12-16-15-11-18(27-3)17(26-2)10-14(15)7-8-19(16)30(24,25)28-4/h10-12,19H,5-9H2,1-4H3,(H,21,22)/b16-12+
InChIKey VBBNZCOQXFSDBI-FOWTUZBSSA-N
Mol Weight 441.5 g/mol
Molecular Formula C20H27NO8S
Exact Mass 441.145738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3EYo564j2y
Name Butanoic acid, 4-(acetylamino)-, [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)-1(2H)-naphthalenylidene]methyl ester
CAS Registry Number 56701-28-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO8S
InChI InChI=1S/C20H27NO8S/c1-13(22)21-9-5-6-20(23)29-12-16-15-11-18(27-3)17(26-2)10-14(15)7-8-19(16)30(24,25)28-4/h10-12,19H,5-9H2,1-4H3,(H,21,22)/b16-12+
InChIKey VBBNZCOQXFSDBI-FOWTUZBSSA-N
Molecular Weight 441.495 g/mol
SMILES N(CCCC(O\C=C\1C(CCc2c1cc(c(OC)c2)OC)S(=O)(=O)OC)=O)C(C)=O
SPLASH splash10-0002-8769000000-3b9f2f0b290740bb7670
Source of Spectrum EP-6107-0-0
Synonyms (E)-(6,7-Dimethoxy-2-(methoxysulfonyl)-3,4-dihydro-1(2H)-naphthalenylidene)methyl 4-(acetylamino)butanoate 4-Acetamidobutanoic acid [(E)-(6,7-dimethoxy-2-methoxysulfonyl-3,4-dihydro-2H-naphthalen-1-ylidene)methyl] ester [(E)-(6,7-dimethoxy-2-methoxysulfonyl-tetralin-1-ylidene)methyl] 4-acetamidobutanoate [(E)-(6,7-dimethoxy-2-methoxysulfonyl-3,4-dihydro-2H-naphthalen-1-ylidene)methyl] 4-acetamidobutanoate
Wiley ID 1385014