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1'-(methylthio)-4'H-spiro[cycloheptane-1,3'-isoquinoline]
SpectraBase Compound ID FS49VuaJxga
InChI InChI=1S/C16H21NS/c1-18-15-14-9-5-4-8-13(14)12-16(17-15)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKey RQORQCLFJBMJGT-UHFFFAOYSA-N
Mol Weight 259.41 g/mol
Molecular Formula C16H21NS
Exact Mass 259.139471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EMnoRQuftah
Name 1'-(methylthio)-4'H-spiro[cycloheptane-1,3'-isoquinoline]
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.139470854 u
Formula C16H21NS
InChI InChI=1S/C16H21NS/c1-18-15-14-9-5-4-8-13(14)12-16(17-15)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKey RQORQCLFJBMJGT-UHFFFAOYSA-N
Molecular Weight 259.411 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1670
Solvent DMSO-d6
Source Vendor ID: NMR/8241464; Lab Info: AGM; Lab Number: AGM-ush0139
Temperature 29.85 °C