(3aR,4R,9aR)-N-(8-Mentholyl)-4-phenyl-3a,4,9,9a-tetrahydrobenz[f]isoindoline

SpectraBase Compound ID	BHW6MdnnMSI
InChI	InChI=1S/C28H37NO/c1-19-13-14-25(26(30)15-19)28(2,3)29-17-22-16-21-11-7-8-12-23(21)27(24(22)18-29)20-9-5-4-6-10-20/h4-12,19,22,24-27,30H,13-18H2,1-3H3/t19-,22+,24+,25-,26-,27-/m1/s1
InChIKey	JXRMXGKCWYBBHW-IXXVSCNHSA-N Google Search
Mol Weight	403.6 g/mol
Molecular Formula	C28H37NO
Exact Mass	403.287515 g/mol

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SpectraBase Spectrum ID	4SJQ22scCy5
Name	(3aR,4R,9aR)-N-(8-Mentholyl)-4-phenyl-3a,4,9,9a-tetrahydrobenz[f]isoindoline
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H37NO
InChI	InChI=1S/C28H37NO/c1-19-13-14-25(26(30)15-19)28(2,3)29-17-22-16-21-11-7-8-12-23(21)27(24(22)18-29)20-9-5-4-6-10-20/h4-12,19,22,24-27,30H,13-18H2,1-3H3/t19-,22+,24+,25-,26-,27-/m1/s1
InChIKey	JXRMXGKCWYBBHW-IXXVSCNHSA-N
Molecular Weight	403.610 g/mol
SMILES	O[C@]1([C@](C(N2C[C@@]3([C@@](c4ccccc4C[C@]3(C2)[H])(c2ccccc2)[H])[H])(C)C)(CC[C@@](C)(C1)[H])[H])[H]
SPLASH	splash10-0006-9050000000-0e657a7778fd0c8d9741
Source of Spectrum	J-67-788-9
Synonyms	2-{1-[(3aR,4R,9aR)-4-phenyl-1,3,3a,4,9,9a-hexahydro-2H-benzo[f]isoindol-2-yl]-1-methylethyl}-5-methylcyclohexanol
Wiley ID	1569090