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(4R,5R,6S,7S)-5,6-Isopropylidenedioxy-1-benzyl-4,5,6,7-tetrahydro-4,7-methano-1H-indazole
SpectraBase Compound ID ByRaeVaASCC
InChI InChI=1S/C18H20N2O2/c1-18(2)21-16-12-8-13(17(16)22-18)15-14(12)9-19-20(15)10-11-6-4-3-5-7-11/h3-7,9,12-13,16-17H,8,10H2,1-2H3/t12-,13+,16-,17+/m1/s1
InChIKey YWPHUSXMQIRAMG-GFOFROLCSA-N
Mol Weight 296.37 g/mol
Molecular Formula C18H20N2O2
Exact Mass 296.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KhVIeEgHHT
Name (4R,5R,6S,7S)-5,6-Isopropylidenedioxy-1-benzyl-4,5,6,7-tetrahydro-4,7-methano-1H-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O2
InChI InChI=1S/C18H20N2O2/c1-18(2)21-16-12-8-13(17(16)22-18)15-14(12)9-19-20(15)10-11-6-4-3-5-7-11/h3-7,9,12-13,16-17H,8,10H2,1-2H3/t12-,13+,16-,17+/m1/s1
InChIKey YWPHUSXMQIRAMG-GFOFROLCSA-N
Molecular Weight 296.370 g/mol
SMILES c12c([n](Cc3ccccc3)nc1)[C@@]1(C[C@]2([C@@]2([C@]1(OC(O2)(C)C)[H])[H])[H])[H]
SPLASH splash10-00kf-9400000000-8a5193da9d5315ddf3db
Source of Spectrum C5-2005-928-8
Synonyms (+-)-(exo,exo)-5,6-Isopropylidenedioxy-1-benzyl-4,5,6,7-tetrahydro-4,7-methano-2H-indazole (1S,7R,8R,12S)-3-benzyl-10,10-dimethyl-9,11-dioxa-3,4-diazatetracyclo[5.5.1.0(2,6).0(8,12)]trideca-2(6),4-diene
Wiley ID 1618301