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7-Thiapentacyclo[4.4.0.0(2,5).0(3,9).0(4,8)]decan-10-one, 7,7-dioxide
SpectraBase Compound ID FQu6pRZklc8
InChI InChI=1S/C9H8O3S/c10-7-5-1-2-4-3(1)8(5)13(11,12)9(4)6(2)7/h1-6,8-9H/t1?,2?,3-,4+,5+,6-,8+,9-
InChIKey OBQLTEGWUBVIII-GRNRMLJJSA-N
Mol Weight 196.22 g/mol
Molecular Formula C9H8O3S
Exact Mass 196.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEZYzzrHDjm
Name 7-Thiapentacyclo[4.4.0.0(2,5).0(3,9).0(4,8)]decan-10-one, 7,7-dioxide
CAS Registry Number 19086-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O3S
InChI InChI=1S/C9H8O3S/c10-7-5-1-2-4-3(1)8(5)13(11,12)9(4)6(2)7/h1-6,8-9H/t1?,2?,3-,4+,5+,6-,8+,9-
InChIKey OBQLTEGWUBVIII-GRNRMLJJSA-N
Molecular Weight 196.220 g/mol
SMILES [C@@]12(S(=O)(=O)[C@@]3([C@@]4(C([C@]1(C1[C@]2([C@]3(C41)[H])[H])[H])=O)[H])[H])[H]
SPLASH splash10-0udi-9300000000-c933c18e93fdb0b45ff7
Source of Spectrum T-67-1269-0
Wiley ID 22207