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([5-(2-Isobutoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl)acetic acid

View entire compound with spectra: 2 MS (GC)

([5-(2-Isobutoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl)acetic acid
SpectraBase Compound ID FaIflssiRx4
InChI InChI=1S/C14H17N3O3S/c1-9(2)7-20-11-6-4-3-5-10(11)13-15-14(17-16-13)21-8-12(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKey JXLVYQMAAMPLKK-UHFFFAOYSA-N
Mol Weight 307.37 g/mol
Molecular Formula C14H17N3O3S
Exact Mass 307.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dUbQleUdxs
Name 2-[5-(2-ISOBUTOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YLTHIO]ACETIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H17N3O3S
InChI InChI=1S/C14H17N3O3S/c1-9(2)7-20-11-6-4-3-5-10(11)13-15-14(17-16-13)21-8-12(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKey JXLVYQMAAMPLKK-UHFFFAOYSA-N
Molecular Weight 307.0987
SMILES OC(CSc1[nH]c(nn1)-c1ccccc1OCC(C)C)=O
SPLASH splash10-052f-9540000000-ff437fc3aaaf0e1241dd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany