name stringlengths 4 171 | smiles stringlengths 1 160 | chemical_class stringclasses 132
values | formula stringlengths 1 17 | exact_mass float64 1.01 1.41k | technique stringclasses 2
values | solvent_matrix stringclasses 1
value | spectrum_vector listlengths 711 3.6k |
|---|---|---|---|---|---|---|---|
Quercetina | O=C1C(O)=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c13 | Flavonol | C15H10O7 | 302.0427 | FTIR | Standard | [
1.8921027396777423e-13,
2.0700752039175957e-13,
2.264474415272777e-13,
2.476786950447035e-13,
2.7086303035564474e-13,
2.961765761030216e-13,
3.2381099212587527e-13,
3.53974797607029e-13,
3.8689486185107536e-13,
4.228180576926893e-13,
4.620127522746154e-13,
5.047708670317952e-13,
5.5140982925... |
Quercetina | O=C1C(O)=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c13 | Flavonol | C15H10O7 | 302.0427 | UV_VIS | Standard | [
0.0004162502591498196,
0.0005158276180736721,
0.0006372575298883021,
0.0007848482928238809,
0.0009636444156058133,
0.0011795274913311005,
0.0014393271412700415,
0.0017509396420791745,
0.002123454352840781,
0.0025672893971204758,
0.00309433089569211,
0.0037180809304118156,
0.00445380201563239... |
Kaempferol | O=C1C(O)=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c13 | Flavonol | C15H10O6 | 286.0477 | FTIR | Standard | [
1.8921027396777423e-13,
2.0700752039175957e-13,
2.264474415272777e-13,
2.476786950447035e-13,
2.7086303035564474e-13,
2.961765761030216e-13,
3.2381099212587527e-13,
3.53974797607029e-13,
3.8689486185107536e-13,
4.228180576926893e-13,
4.620127522746154e-13,
5.047708670317952e-13,
5.5140982925... |
Kaempferol | O=C1C(O)=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c13 | Flavonol | C15H10O6 | 286.0477 | UV_VIS | Standard | [
0.0004162502591498196,
0.0005158276180736721,
0.0006372575298883021,
0.0007848482928238809,
0.0009636444156058133,
0.0011795274913311005,
0.0014393271412700415,
0.0017509396420791745,
0.002123454352840781,
0.0025672893971204758,
0.00309433089569211,
0.0037180809304118156,
0.00445380201563239... |
Apigenina | O=C1C=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c13 | Flavona | C15H10O5 | 270.0528 | FTIR | Standard | [1.8921027396777423e-13,2.0700752039175957e-13,2.264474415272777e-13,2.476786950447035e-13,2.7086303(...TRUNCATED) |
Apigenina | O=C1C=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c13 | Flavona | C15H10O5 | 270.0528 | UV_VIS | Standard | [0.0004162502591498196,0.0005158276180736721,0.0006372575298883021,0.0007848482928238809,0.000963644(...TRUNCATED) |
Luteolina | O=C1C=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c13 | Flavona | C15H10O6 | 286.0477 | FTIR | Standard | [1.8921027396777423e-13,2.0700752039175957e-13,2.264474415272777e-13,2.476786950447035e-13,2.7086303(...TRUNCATED) |
Luteolina | O=C1C=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c13 | Flavona | C15H10O6 | 286.0477 | UV_VIS | Standard | [0.0004162502591498196,0.0005158276180736721,0.0006372575298883021,0.0007848482928238809,0.000963644(...TRUNCATED) |
Naringenina | O=C1CC(c2ccc(O)cc2)Oc3cc(O)cc(O)c13 | Flavanona | C15H12O5 | 272.0685 | FTIR | Standard | [1.7925269016512424e-13,1.9611332143735366e-13,2.145301758503873e-13,2.3464409126643104e-13,2.566082(...TRUNCATED) |
Naringenina | O=C1CC(c2ccc(O)cc2)Oc3cc(O)cc(O)c13 | Flavanona | C15H12O5 | 272.0685 | UV_VIS | Standard | [0.0004162502591498196,0.0005158276180736721,0.0006372575298883021,0.0007848482928238809,0.000963644(...TRUNCATED) |
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