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

SpectraBase Compound ID	7CU8KHH4XZ1
InChI	InChI=1S/C21H26OS/c1-13-17(22)12-16-18(13)19-15(20(19,2)3)10-11-21(16,4)23-14-8-6-5-7-9-14/h5-9,12-13,15,18-19H,10-11H2,1-4H3/t13-,15-,18-,19-,21+/m1/s1
InChIKey	GRPDJLWDWNQAMJ-CKMSOXPYSA-N Google Search
Mol Weight	326.5 g/mol
Molecular Formula	C21H26OS
Exact Mass	326.170437 g/mol

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SpectraBase Spectrum ID	2qRoTKzw6jU
Name	(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-4-(phenylthio)-1a,2,3,7,7a,7b-hexahydrocyclopropa[e]azulen-6-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H26OS
InChI	InChI=1S/C21H26OS/c1-13-17(22)12-16-18(13)19-15(20(19,2)3)10-11-21(16,4)23-14-8-6-5-7-9-14/h5-9,12-13,15,18-19H,10-11H2,1-4H3/t13-,15-,18-,19-,21+/m1/s1
InChIKey	GRPDJLWDWNQAMJ-CKMSOXPYSA-N
Molecular Weight	326.498 g/mol
SMILES	[C@@]12(C(C)(C)[C@@]2(CC[C@@](C=2[C@]1([C@@](C(=O)C2)(C)[H])[H])(Sc1ccccc1)C)[H])[H]
SPLASH	splash10-014i-0091000000-543b05c52d162393bcf1
Source of Spectrum	E1-42-1245-7
Synonyms	(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-4-(phenylthio)-1a,2,3,7,7a,7b-hexahydrocycloprop[e]azulen-6-one (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-4-phenylsulfanyl-1a,2,3,7,7a,7b-hexahydrocyclopropa[e]azulen-6-one
Wiley ID	1552669