SpectraBase Spectrum ID |
2F0GnzfqWOq |
Name |
Tannic acid |
Source of Sample |
Flinn Scientific |
Catalog Number |
T0002 |
Lot Number |
13750 |
Accessory |
DurasamplIR II |
Apodization Function |
Norton-Beer, medium |
CAS Registry Number |
1401-55-4 |
Copyright |
Copyright © 2019-2024 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 |
Instrument Name |
Bio-Rad FTS
|
SMILES |
Oc1c(c(cc(C(Oc2c(c(cc(C(O[C@]3([C@@]([C@]([C@@]([C@@](COC(c4cc(OC(c5cc(c(c(c5)O)O)O)=O)c(c(c4)O)O)=O)(O3)[H])(OC(c3cc(c(c(c3)OC(c3cc(c(c(c3)O)O)O)=O)O)O)=O)[H])(OC(=O)c3cc(c(c(c3)OC(=O)c3cc(c(c(c3)O)O)O)O)O)[H])(OC(=O)c3cc(c(c(c3)OC(c3cc(c(c(c3)O)O)O)=O)O)O)[H])[H])=O)c2)O)O)=O)c1)O)O |
Scan Speed (number) |
5 |
Source of Spectrum |
Forensic Spectral Research |
Technique |
ATR-Neat |