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1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-, monosodium salt

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1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-, monosodium salt
SpectraBase Compound ID GREbLEdsXod
InChI InChI=1S/C23H16Cl3N3O5S.Na/c1-11-2-4-12(5-3-11)27-16-8-9-18(35(32,33)34)13-6-7-17(23(31)19(13)16)28-29-21-20(26)14(24)10-15(25)22(21)30;/h2-10,27,30-31H,1H3,(H,32,33,34);/q;+1/p-1/b29-28+;
InChIKey KCRXXDRORYYQAO-IRWWKPKRSA-M
Mol Weight 574.79776928 g/mol
Molecular Formula C23H15Cl3N3NaO5S
Exact Mass 572.969569 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 88oxQfI4zwH
Name 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-, monosodium salt
CAS Registry Number 517-88-4
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H15Cl3N3NaO5S
InChI InChI=1S/C23H16Cl3N3O5S.Na/c1-11-2-4-12(5-3-11)27-16-8-9-18(35(32,33)34)13-6-7-17(23(31)19(13)16)28-29-21-20(26)14(24)10-15(25)22(21)30;/h2-10,27,30-31H,1H3,(H,32,33,34);/q;+1/p-1/b29-28+;
InChIKey KCRXXDRORYYQAO-IRWWKPKRSA-M
Instrument Name Bruker IFS 85
Synonyms 2-Amino-3,4,6-trichlorophenol->(alk)N-p-tosyl-S=acid
Technique KBr-Pellet