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Spiro[1,3-dithiolane-2,1'(2'H)-naphthalen]-8'(5'H)-one, 3',4',4'a,8'a-tetrahydro-4',4',8'a-trimethyl-6'-(phenylthio)-, trans-
SpectraBase Compound ID C84Lj38QR5t
InChI InChI=1S/C21H26OS3/c1-19(2)9-10-21(23-11-12-24-21)20(3)17(19)13-16(14-18(20)22)25-15-7-5-4-6-8-15/h4-8,14,17H,9-13H2,1-3H3/t17-,20-/m1/s1
InChIKey JPIDXSVBWUHUBM-YLJYHZDGSA-N
Mol Weight 390.62 g/mol
Molecular Formula C21H26OS3
Exact Mass 390.114579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 479GggJ0zNh
Name Spiro[1,3-dithiolane-2,1'(2'H)-naphthalen]-8'(5'H)-one, 3',4',4'a,8'a-tetrahydro-4',4',8'a-trimethyl-6'-(phenylthio)-, trans-
CAS Registry Number 130385-43-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26OS3
InChI InChI=1S/C21H26OS3/c1-19(2)9-10-21(23-11-12-24-21)20(3)17(19)13-16(14-18(20)22)25-15-7-5-4-6-8-15/h4-8,14,17H,9-13H2,1-3H3/t17-,20-/m1/s1
InChIKey JPIDXSVBWUHUBM-YLJYHZDGSA-N
Molecular Weight 390.618 g/mol
SMILES [C@]12(C(C=C(C[C@@]2(C(C)(C)CCC11SCCS1)[H])Sc1ccccc1)=O)C
SPLASH splash10-056r-6941000000-b3f880ca25933b344971
Source of Spectrum I-68-1175-16
Synonyms (4'aR,8'aR)-4',4',8'a-trimethyl-6'-(phenylsulfanyl)-3',4',4'a,5',8',8'a-hexahydro-2'H-spiro[1,3-dithiolane-2,1'-naphthalene]-8'-one TraS-6'-phenylthio-3',4',4a',8a'-tetrahydro-4',4',8a'-trimethyl-spiro[1,3-dithiolane-2,1'(2'H)-naphthalen]-8'(5'H)-one
Wiley ID 1364775