(2S)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-3-deuterio-propanal

SpectraBase Compound ID	JkaCnR9x8D8
InChI	InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11-15H,4-7H2,1-3H3/t11-,12-,13+,14+,15+/m1/s1/i3D
InChIKey	PIUSZJFEZXYOAT-LOCVDJGHSA-N Google Search
Mol Weight	221.36 g/mol
Molecular Formula	C15H23DO
Exact Mass	221.188992 g/mol

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SpectraBase Spectrum ID	J8RtJGc8xr5
Name	(2S)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-3-deuterio-propanal
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	221.188992138 u
Formula	C15H23DO
InChI	InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11-15H,4-7H2,1-3H3/t11-,12-,13+,14+,15+/m1/s1/i3D
InChIKey	PIUSZJFEZXYOAT-LOCVDJGHSA-N
Instrument Name	Hewlett Packard 6890 GC
Ionization Type	EI
Literature Reference DOI	10.1002/anie.201609557
Molecular Weight	221.362 g/mol
Quality	906
SMILES	C1[C@]([C@]2([C@@]([C@@](C1)([C@@](C=O)(C[D])[H])[H])(C=C(CC2)C)[H])[H])(C)[H]
SPLASH	splash10-0gyw-1910000000-cb3afa1db72fa373e497
Source of Spectrum	ACI-56-SM27-(11S)-[11-2H1]-4 (DOI: 10.1002/anie.201609557)
Wiley ID	1895586