SpectraBase Spectrum ID |
GUf8ffnVzBg |
Name |
Valsartane 2ME |
Classification |
Pharmaceutical drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
463.258339940 u |
Formula |
C26H33N5O3 |
InChI |
InChI=1S/C26H33N5O3/c1-6-7-12-23(32)31(24(18(2)3)26(33)34-5)17-19-13-15-20(16-14-19)21-10-8-9-11-22(21)25-27-28-29-30(25)4/h8-11,13-16,18,24H,6-7,12,17H2,1-5H3 |
InChIKey |
RHLBSFVJKGYBAP-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
463.582 g/mol |
Nominal Mass |
463 u |
Quality |
924 |
Retention Index |
3752 |
SMILES |
C1(=C(C=2N(N=NN2)C)C=CC=C1)C1=CC=C(CN(C(C(OC)=O)C(C)C)C(CCCC)=O)C=C1 |
SPLASH |
splash10-01t9-0489000000-c83bda10b53d6e452c18 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
methyl 3-methyl-2-(((2'-(1-methyl-1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl)methyl)(pentanoyl)amino)\rbutanoate |
Technique |
GC/MS |
Wiley ID |
DD2024_004237 |