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Isoanhalidine

View entire compound with spectra: 1 MS (GC)

Isoanhalidine
SpectraBase Compound ID 97LovFc1OHa
InChI InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(14)12(16-3)11(15-2)9(8)7-13/h6,14H,4-5,7H2,1-3H3
InChIKey IPYGKVNRDYGKKQ-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByJvWRlMHuZ
Name Isoanhalidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(14)12(16-3)11(15-2)9(8)7-13/h6,14H,4-5,7H2,1-3H3
InChIKey IPYGKVNRDYGKKQ-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES Oc1cc2CCN(Cc2c(c1OC)OC)C
SPLASH splash10-00di-0490000000-846e8e057278ac929d5e
Source of Spectrum X2-49-763-64
Synonyms 6-Hydroxy-N-methyl-7,8-dimethoxy-1,2,3,4-tetrahydro-isoquinoline 7,8-dimethoxy-2-methyl-1,2,3,4-tetrahydro-6-isoquinolinol
Wiley ID 1602038