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Piperidylthiambutene
SpectraBase Compound ID C803yABrRak
InChI InChI=1S/C17H21NS2/c1-14(18-9-3-2-4-10-18)13-15(16-7-5-11-19-16)17-8-6-12-20-17/h5-8,11-14H,2-4,9-10H2,1H3
InChIKey FQRWJLVMJCKSME-UHFFFAOYSA-N
Mol Weight 303.48 g/mol
Molecular Formula C17H21NS2
Exact Mass 303.111542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFhjtl2meM0
Name Piperidylthiambutene
CAS Registry Number 64037-51-0
Classification Opioid analgesic
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 303.111542028 u
Formula C17H21NS2
InChI InChI=1S/C17H21NS2/c1-14(18-9-3-2-4-10-18)13-15(16-7-5-11-19-16)17-8-6-12-20-17/h5-8,11-14H,2-4,9-10H2,1H3
InChIKey FQRWJLVMJCKSME-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.482 g/mol
Nominal Mass 303 u
Quality 962
Retention Index 2254
SMILES C(C=1SC=CC1)(C=1SC=CC1)=CC(N1CCCCC1)C
SPLASH splash10-000i-2890000000-9d021ecaa1527b557b62
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Piperidinothon 1-(4,4-Di(thiophen-2-yl)but-3-en-2-yl)piperidine
Technique GC/MS
Wiley ID DD2024_027885