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7,8-Dihydroxy-1-(isopropyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide

View entire compound with spectra: 1 MS (GC)

7,8-Dihydroxy-1-(isopropyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide
SpectraBase Compound ID 8iBzgvxvThL
InChI InChI=1S/C13H19NO2.BrH/c1-8(2)11-7-14-4-3-9-5-12(15)13(16)6-10(9)11;/h5-6,8,11,14-16H,3-4,7H2,1-2H3;1H
InChIKey NHNUHNTWIGIUML-UHFFFAOYSA-N
Mol Weight 302.21 g/mol
Molecular Formula C13H20BrNO2
Exact Mass 301.067742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyM3rqjwCOv
Name 7,8-Dihydroxy-1-(isopropyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20BrNO2
InChI InChI=1S/C13H19NO2.BrH/c1-8(2)11-7-14-4-3-9-5-12(15)13(16)6-10(9)11;/h5-6,8,11,14-16H,3-4,7H2,1-2H3;1H
InChIKey NHNUHNTWIGIUML-UHFFFAOYSA-N
Molecular Weight 302.212 g/mol
SMILES [Br-].Oc1cc2C(C[NH2+]CCc2cc1O)C(C)C
SPLASH splash10-004i-0920000000-33f28cbfe6813ce9d505
Source of Spectrum SO-0-879-11
Wiley ID 1544398