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(5aRS,11bSR)-3,5a,6,11b-tetrahydro-1-methyl-3-phenyl-5H-[1]benzopyrano[4',3':4,5]pyrano[2,3-c]pyrazole
SpectraBase Compound ID 3g4xZwAX5pg
InChI InChI=1S/C20H18N2O2/c1-13-18-19-14(11-23-17-10-6-5-9-16(17)19)12-24-20(18)22(21-13)15-7-3-2-4-8-15/h2-10,14,19H,11-12H2,1H3
InChIKey YTTQVUATZFHJTL-UHFFFAOYSA-N
Mol Weight 318.38 g/mol
Molecular Formula C20H18N2O2
Exact Mass 318.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDi86ZsjzCo
Name (5aRS,11bSR)-3,5a,6,11b-tetrahydro-1-methyl-3-phenyl-5H-[1]benzopyrano[4',3':4,5]pyrano[2,3-c]pyrazole
CAS Registry Number 112296-94-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O2
InChI InChI=1S/C20H18N2O2/c1-13-18-19-14(11-23-17-10-6-5-9-16(17)19)12-24-20(18)22(21-13)15-7-3-2-4-8-15/h2-10,14,19H,11-12H2,1H3
InChIKey YTTQVUATZFHJTL-UHFFFAOYSA-N
Molecular Weight 318.376 g/mol
SMILES c12c([n](-c3ccccc3)nc1C)OCC1C2c2c(cccc2)OC1
SPLASH splash10-00kb-0809000000-2dd6f3e9b504151cf1cf
Source of Spectrum J-53-818-23
Synonyms 1-Methyl-3-phenyl-3,5a,6,11b-tetrahydro-5H-chromeno[4',3':4,5]pyrano[2,3-c]pyrazole
Wiley ID 1318724