For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(7S)-1,3,4,5,6,7-Hexahydro-7-hydroxy-4-hydroxymethyl-7-isopropyl-6-oxopyrrolo[4,3,2-fg][3]benzazocine

View entire compound with spectra: 1 MS (GC)

(7S)-1,3,4,5,6,7-Hexahydro-7-hydroxy-4-hydroxymethyl-7-isopropyl-6-oxopyrrolo[4,3,2-fg][3]benzazocine
SpectraBase Compound ID HQhQksz40JL
InChI InChI=1S/C16H20N2O3/c1-9(2)16(21)12-4-3-5-13-14(12)10(7-17-13)6-11(8-19)18-15(16)20/h3-5,7,9,11,17,19,21H,6,8H2,1-2H3,(H,18,20)/t11-,16-/m0/s1
InChIKey PFRCUWMBHYEVGX-ZBEGNZNMSA-N
Mol Weight 288.35 g/mol
Molecular Formula C16H20N2O3
Exact Mass 288.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1CVO2GeSaZ5
Name (7S)-1,3,4,5,6,7-Hexahydro-7-hydroxy-4-hydroxymethyl-7-isopropyl-6-oxopyrrolo[4,3,2-fg][3]benzazocine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O3
InChI InChI=1S/C16H20N2O3/c1-9(2)16(21)12-4-3-5-13-14(12)10(7-17-13)6-11(8-19)18-15(16)20/h3-5,7,9,11,17,19,21H,6,8H2,1-2H3,(H,18,20)/t11-,16-/m0/s1
InChIKey PFRCUWMBHYEVGX-ZBEGNZNMSA-N
Molecular Weight 288.347 g/mol
SMILES [nH]1cc2c3c([C@](C(N[C@@](C2)(CO)[H])=O)(C(C)C)O)cccc13
SPLASH splash10-0a4r-2890000000-257890b56925a2df3d66
Source of Spectrum KC-1992-827-16
Synonyms (4S,7S)-7-hydroxy-4-(hydroxymethyl)-7-isopropyl-1,4,5,7-tetrahydroazocino[4,5,6-cd]indol-6(3H)-one
Wiley ID 776209