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4-(1-piperazinyl)-2-butynoic acid

View entire compound with spectra: 1 MS (GC)

4-(1-piperazinyl)-2-butynoic acid
SpectraBase Compound ID 3Prth6NHujC
InChI InChI=1S/C8H12N2O2/c11-8(12)2-1-5-10-6-3-9-4-7-10/h9H,3-7H2,(H,11,12)
InChIKey QNNOXNDUPDUGTC-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DH9HM3d0S3W
Name 4-(1-piperazinyl)-2-butynoic acid
CAS Registry Number 38346-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c11-8(12)2-1-5-10-6-3-9-4-7-10/h9H,3-7H2,(H,11,12)
InChIKey QNNOXNDUPDUGTC-UHFFFAOYSA-N
Molecular Weight 168.196 g/mol
SMILES OC(C#CCN1CCNCC1)=O
SPLASH splash10-001i-9500000000-fb25a537aad08a5abbef
Source of Spectrum B-25-1360-98
Synonyms 4-Piperazin-1-ylbut-2-ynoic acid 4-Piperazinobut-2-ynoic acid
Wiley ID 1164156