Debug Info

object
{15}
_id
:
LLfxCyYiVo9
spectrumID
:
LLfxCyYiVo9
cost
:
1
specType
:
1024
xnmrNucleus
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0
dbLocation
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WSAAX:4207:1
hasStructureAssignments
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false
properties
{10}
analyticalTechnique
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ATR-IR
analyticalTechniqueLongName
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Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
isFullSpectrum
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true
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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Tannic acid
SpectraBase Compound ID JZvdAShFIpA
InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
InChIKey LRBQNJMCXXYXIU-PPKXGCFTSA-N
Mol Weight 1701.2 g/mol
Molecular Formula C76H52O46
Exact Mass 1700.172974 g/mol
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Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID LLfxCyYiVo9
Name Tannic acid
Source of Sample Aldrich
Catalog Number 216712
CAS Registry Number 1401-55-4
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C76H52O46
InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
InChIKey LRBQNJMCXXYXIU-PPKXGCFTSA-N
Synonyms Gallotannin; Tannin
Wiley ID SIAL_ATR-IR_010909
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