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(1R,5S)-8-Oxo-N-{2-[1-(prop-2-yn-1-yloxy)-ethoxy]ethyl}-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine-3-carbothioamide

View entire compound with spectra: 1 MS (GC)

(1R,5S)-8-Oxo-N-{2-[1-(prop-2-yn-1-yloxy)-ethoxy]ethyl}-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine-3-carbothioamide
SpectraBase Compound ID 9Aihoks1W1p
InChI InChI=1S/C19H25N3O3S/c1-3-8-24-14(2)25-9-7-20-19(26)21-11-15-10-16(13-21)17-5-4-6-18(23)22(17)12-15/h1,4-6,14-16H,7-13H2,2H3,(H,20,26)/t14?,15-,16-/m1/s1
InChIKey RLMGQHLLEQYULP-ANGDWKNPSA-N
Mol Weight 375.49 g/mol
Molecular Formula C19H25N3O3S
Exact Mass 375.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDdTED8Arw7
Name (1R,5S)-8-Oxo-N-{2-[1-(prop-2-yn-1-yloxy)-ethoxy]ethyl}-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine-3-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25N3O3S
InChI InChI=1S/C19H25N3O3S/c1-3-8-24-14(2)25-9-7-20-19(26)21-11-15-10-16(13-21)17-5-4-6-18(23)22(17)12-15/h1,4-6,14-16H,7-13H2,2H3,(H,20,26)/t14?,15-,16-/m1/s1
InChIKey RLMGQHLLEQYULP-ANGDWKNPSA-N
Molecular Weight 375.487 g/mol
SMILES N(C(N1C[C@@]2(CN3C([C@](C1)([H])C2)=CC=CC3=O)[H])=S)CCOC(OCC#C)C
SPLASH splash10-0019-5940000000-32ea7701c3ef34efea6c
Source of Spectrum O1-46-545-2
Wiley ID 1669165