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Spiro[cyclohept[d][1,3]oxazine-4(4aH),1'-cyclohexane], 5,6,7,8,9,9a-hexahydro-2-phenyl-, trans-
SpectraBase Compound ID 79voW2HbrLh
InChI InChI=1S/C20H27NO/c1-4-10-16(11-5-1)19-21-18-13-7-2-6-12-17(18)20(22-19)14-8-3-9-15-20/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2/t17-,18-/m1/s1
InChIKey XFMAIPDTUILFQR-QZTJIDSGSA-N
Mol Weight 297.44 g/mol
Molecular Formula C20H27NO
Exact Mass 297.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Du512VVPbll
Name Spiro[cyclohept[d][1,3]oxazine-4(4aH),1'-cyclohexane], 5,6,7,8,9,9a-hexahydro-2-phenyl-, trans-
CAS Registry Number 117720-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO
InChI InChI=1S/C20H27NO/c1-4-10-16(11-5-1)19-21-18-13-7-2-6-12-17(18)20(22-19)14-8-3-9-15-20/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2/t17-,18-/m1/s1
InChIKey XFMAIPDTUILFQR-QZTJIDSGSA-N
Molecular Weight 297.442 g/mol
SMILES C1(=N[C@]2([C@](C3(O1)CCCCC3)(CCCCC2)[H])[H])c1ccccc1
SPLASH splash10-0a6r-4900000000-bbfd30ddc12937005015
Source of Spectrum F-44-1969-24
Synonyms (4aR,9aR)-3-phenyl-5,6,7,8,9,9a-hexahydro-4aH-spiro[cyclohepta[d][1,3]oxazine-1,1'-cyclohexane] trans-2-spirocyclohexyl-3-oxa-4-phenyl-5-azabicyclo[4.4.0]undec-4-ene
Wiley ID 1300383