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1-Naphthalenecarboxylic acid, 1-(1,3-dithian-2-ylmethyl)-1,2,3,4-tetrahydro-, methyl ester
SpectraBase Compound ID 3tY3dLHzZ29
InChI InChI=1S/C17H22O2S2/c1-19-16(18)17(12-15-20-10-5-11-21-15)9-4-7-13-6-2-3-8-14(13)17/h2-3,6,8,15H,4-5,7,9-12H2,1H3
InChIKey QSIKSRBZUMTCBN-UHFFFAOYSA-N
Mol Weight 322.48 g/mol
Molecular Formula C17H22O2S2
Exact Mass 322.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2njZHadr7Y
Name 1-Naphthalenecarboxylic acid, 1-(1,3-dithian-2-ylmethyl)-1,2,3,4-tetrahydro-, methyl ester
CAS Registry Number 56063-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2S2
InChI InChI=1S/C17H22O2S2/c1-19-16(18)17(12-15-20-10-5-11-21-15)9-4-7-13-6-2-3-8-14(13)17/h2-3,6,8,15H,4-5,7,9-12H2,1H3
InChIKey QSIKSRBZUMTCBN-UHFFFAOYSA-N
Molecular Weight 322.481 g/mol
SMILES C1(c2c(cccc2)CCC1)(C(=O)OC)CC1SCCCS1
SPLASH splash10-003u-0900000000-3843e6718422bd228f54
Source of Spectrum C-97-2230-0
Synonyms 1,3-Dithiane, 1-naphthalenecarboxylic acid deriv. 1-Carbomethoxy-1-(2',2'-trimethylenedithioethyl)tetralin Methyl 1-(1,3-dithian-2-ylmethyl)-1,2,3,4-tetrahydro-1-naphthalenecarboxylate
Wiley ID 1321572