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11,12-Dihydro-3-methylcholanthrene

View entire compound with spectra: 1 MS (GC)

11,12-Dihydro-3-methylcholanthrene
SpectraBase Compound ID IG2vC3Y8JRN
InChI InChI=1S/C21H18/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-7,12H,8-11H2,1H3
InChIKey RDCLPONBGABOJJ-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C21H18
Exact Mass 270.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RI9b6pHVzD
Name 11,12-Dihydro-3-methylcholanthrene
Alternate Name(s) 3-Methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene 3-Methyl-1,2,11,12-tetrahydrobenz[j]aceanthrylene Cholanthrene, 11,12-dihydro-3-methyl- BRN 2133982
CAS Registry Number 25486-92-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18
InChI InChI=1S/C21H18/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-7,12H,8-11H2,1H3
InChIKey RDCLPONBGABOJJ-UHFFFAOYSA-N
Molecular Weight 270.375 g/mol
SMILES c-12c(c3CCc4c3c(c2)ccc4C)CCc2c1cccc2
SPLASH splash10-00di-0090000000-d47c259183e68c2f4d18
Source of Spectrum W5-24191-0-0
Wiley ID 1275006