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Tertatolol
SpectraBase Compound ID 8n5n0gBraHi
InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
InChIKey HTWFXPCUFWKXOP-UHFFFAOYSA-N
Mol Weight 295.44 g/mol
Molecular Formula C16H25NO2S
Exact Mass 295.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HivahI58iW
Name Tertatolol
CAS Registry Number 34784-64-0
Classification Pharmaceutical drug, beta-adrenergic blocker
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 295.160600221 u
Formula C16H25NO2S
InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
InChIKey HTWFXPCUFWKXOP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 295.441 g/mol
Nominal Mass 295 u
Quality 877
Retention Index 2222
SMILES OC(CNC(C)(C)C)COC1=C2C(=CC=C1)CCCS2
SPLASH splash10-00kr-8920000000-635106ca84d3486bbf8d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(tert-Butylamino)-3-thiochroman-8-yloxypropan-2-ol
Technique GC/MS
Wiley ID DD2024_007975