(1aR,4R,7R,7aS,7bR)-1,1,4,7-tetramethyl-7-(phenylseleno)-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-one

SpectraBase Compound ID	IGDOQkfYQ20
InChI	InChI=1S/C21H26OSe/c1-13-10-11-16-19(20(16,2)3)18-15(13)12-17(22)21(18,4)23-14-8-6-5-7-9-14/h5-9,12-13,16,18-19H,10-11H2,1-4H3/t13-,16-,18-,19-,21+/m1/s1
InChIKey	CJDUMLYMAGDRHE-KVQDAUAASA-N Google Search
Mol Weight	373.41 g/mol
Molecular Formula	C21H26OSe
Exact Mass	374.114887 g/mol

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SpectraBase Spectrum ID	JXS2j99ueRu
Name	(1aR,4R,7R,7aS,7bR)-1,1,4,7-tetramethyl-7-(phenylseleno)-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H26OSe
InChI	InChI=1S/C21H26OSe/c1-13-10-11-16-19(20(16,2)3)18-15(13)12-17(22)21(18,4)23-14-8-6-5-7-9-14/h5-9,12-13,16,18-19H,10-11H2,1-4H3/t13-,16-,18-,19-,21+/m1/s1
InChIKey	CJDUMLYMAGDRHE-KVQDAUAASA-N
Molecular Weight	373.410 g/mol
SMILES	[C@@]12(C(C)(C)[C@@]2(CC[C@](C=2[C@]1([C@](C(=O)C2)([Se]c1ccccc1)C)[H])(C)[H])[H])[H]
SPLASH	splash10-014i-0090000000-20cc3ae9b9326fae1f63
Source of Spectrum	E1-42-1245-6
Synonyms	(1aR,4R,7R,7aS,7bR)-1,1,4,7-tetramethyl-7-(phenylseleno)-1a,2,3,4,7a,7b-hexahydrocycloprop[e]azulen-6-one (1aR,4R,7R,7aS,7bR)-1,1,4,7-tetramethyl-7-phenylselanyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-one
Wiley ID	1552670