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N-benzylpentanethioamide

View entire compound with spectra: 1 MS (GC)

N-benzylpentanethioamide
SpectraBase Compound ID Ac66Eyl0nfn
InChI InChI=1S/C12H17NS/c1-2-3-9-12(14)13-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
InChIKey ZLBCTVCIVXCKFR-UHFFFAOYSA-N
Mol Weight 207.33 g/mol
Molecular Formula C12H17NS
Exact Mass 207.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDLnMNGW9uY
Name N-benzylpentanethioamide
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.108170725 u
Formula C12H17NS
InChI InChI=1S/C12H17NS/c1-2-3-9-12(14)13-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
InChIKey ZLBCTVCIVXCKFR-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504247
Molecular Weight 207.335 g/mol
Quality 96
Reported Formula C12H17NS
SMILES N(CC1=CC=CC=C1)C(CCCC)=S
SPLASH splash10-0006-9120000000-b141cfd055ecbed29180
Source of Spectrum QE-21-SM8-7 (DOI: 10.1002/chem.201504247)
Wiley ID 1907541