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Spiro[cycloheptane-1,4'(4'aH)-cyclohept[d][1,3]oxazine], 5',6',7',8',9',9'a-hexahydro-2'-phenyl-, trans-
SpectraBase Compound ID H6pRBxZrOi4
InChI InChI=1S/C21H29NO/c1-2-10-16-21(15-9-1)18-13-7-4-8-14-19(18)22-20(23-21)17-11-5-3-6-12-17/h3,5-6,11-12,18-19H,1-2,4,7-10,13-16H2/t18-,19-/m1/s1
InChIKey QFUWVKKFUWTMJN-RTBURBONSA-N
Mol Weight 311.47 g/mol
Molecular Formula C21H29NO
Exact Mass 311.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41JQYwTb6qb
Name Spiro[cycloheptane-1,4'(4'aH)-cyclohept[d][1,3]oxazine], 5',6',7',8',9',9'a-hexahydro-2'-phenyl-, trans-
CAS Registry Number 117720-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO
InChI InChI=1S/C21H29NO/c1-2-10-16-21(15-9-1)18-13-7-4-8-14-19(18)22-20(23-21)17-11-5-3-6-12-17/h3,5-6,11-12,18-19H,1-2,4,7-10,13-16H2/t18-,19-/m1/s1
InChIKey QFUWVKKFUWTMJN-RTBURBONSA-N
Molecular Weight 311.469 g/mol
SMILES C1(=N[C@]2([C@](C3(O1)CCCCCC3)(CCCCC2)[H])[H])c1ccccc1
SPLASH splash10-0a4i-3910000000-ac835765f31caa952588
Source of Spectrum F-44-1969-23
Synonyms (4aR,9aR)-3-phenyl-5,6,7,8,9,9a-hexahydro-4aH-spiro[cyclohepta[d][1,3]oxazine-1,1'-cycloheptane] trans-2-spirocycloheptyl-3-oxa-4-phenyl-5-azabicyclo[4.4.0]undec-4-ene
Wiley ID 1312717