TRANS-(3-R*,8A-S*)-3,8A-DIHYDRO-3-TERT.-BUTYL-8A-METHYLAZULEN-1-(2-H)-ONE;MAJOR_DIASTEREOMER - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	3WIub06BtIr
InChI	InChI=1S/C15H20O/c1-14(2,3)12-10-13(16)15(4)9-7-5-6-8-11(12)15/h5-9,12H,10H2,1-4H3/t12-,15-/m0/s1
InChIKey	JPIORTSYSFGKPA-WFASDCNBSA-N Google Search
Mol Weight	216.32 g/mol
Molecular Formula	C15H20O
Exact Mass	216.151415 g/mol

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SpectraBase Spectrum ID	IFFIpHsQkcW
Name	trans-(3R,8aS)-3,8a-Dihydro-3-tert-butyl-8a-methylazulen-1(2H)-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H20O
InChI	InChI=1S/C15H20O/c1-14(2,3)12-10-13(16)15(4)9-7-5-6-8-11(12)15/h5-9,12H,10H2,1-4H3/t12-,15-/m0/s1
InChIKey	JPIORTSYSFGKPA-WFASDCNBSA-N
Molecular Weight	216.324 g/mol
SMILES	C=12[C@@](C(=O)C[C@@]2(C(C)(C)C)[H])(C=CC=CC1)C
SPLASH	splash10-03ea-0910000000-aafbe11fa03dd1d71af5
Source of Spectrum	KC-0-4087-2
Synonyms	(3R,8aS)-3-tert-butyl-8a-methyl-3,8a-dihydro-1(2H)-azulenone
Wiley ID	827031