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(4aS,6S,8aS)-6,8a-dimethyl-5-methylene-1-(phenylsulfanylmethyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
SpectraBase Compound ID Ddw9qt2MhPE
InChI InChI=1S/C21H26OS/c1-15-11-12-21(3)19(16(15)2)10-9-17(13-22)20(21)14-23-18-7-5-4-6-8-18/h4-8,13,15,19H,2,9-12,14H2,1,3H3/t15-,19-,21-/m0/s1
InChIKey AIJHMWBMHXFEOF-ZRCAFCQKSA-N
Mol Weight 326.5 g/mol
Molecular Formula C21H26OS
Exact Mass 326.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MQXFwFF6LG
Name (4aS,6S,8aS)-6,8a-dimethyl-5-methylene-1-(phenylsulfanylmethyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
CAS Registry Number 89656-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26OS
InChI InChI=1S/C21H26OS/c1-15-11-12-21(3)19(16(15)2)10-9-17(13-22)20(21)14-23-18-7-5-4-6-8-18/h4-8,13,15,19H,2,9-12,14H2,1,3H3/t15-,19-,21-/m0/s1
InChIKey AIJHMWBMHXFEOF-ZRCAFCQKSA-N
Molecular Weight 326.498 g/mol
SMILES [C@@]12(C(=C(C=O)CC[C@]2(C(=C)[C@](CC1)(C)[H])[H])CSc1ccccc1)C
SPLASH splash10-01b9-4982000000-eec06fbac6a7bcf9bf96
Source of Spectrum J-49-2035-0
Synonyms (4aS,6S,8aS)-6,8a-dimethyl-5-methylene-1-[(phenylthio)methyl]-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde (4aS,6S,8aS)-6,8a-dimethyl-5-methylene-1-[(phenylthio)methyl]-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxaldehyde (4aS,6S,8aS)-6,8a-dimethyl-5-methylidene-1-(phenylsulfanylmethyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
Wiley ID 1325076