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5,8-Methano-4H-3,1-benzoxazine-2-thione, 1,2,4a-rel,5-trans,6,7,8-cis,8a-cis-octahydro-

View entire compound with spectra: 2 MS (GC)

5,8-Methano-4H-3,1-benzoxazine-2-thione, 1,2,4a-rel,5-trans,6,7,8-cis,8a-cis-octahydro-
SpectraBase Compound ID 96tRYJttPTu
InChI InChI=1S/C9H13NOS/c12-9-10-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2,(H,10,12)/t5-,6+,7?,8?/m1/s1
InChIKey WCXZZNJRFIRYTO-UHFFFAOYSA-N
Mol Weight 183.27 g/mol
Molecular Formula C9H13NOS
Exact Mass 183.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3IsMrGqUeA
Name 5,8-Methano-4H-3,1-benzoxazine-2-thione, 1,2,4a-rel,5-trans,6,7,8-cis,8a-cis-octahydro-
CAS Registry Number 95721-59-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NOS
InChI InChI=1S/C9H13NOS/c12-9-10-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2,(H,10,12)/t5-,6+,7?,8?/m1/s1
InChIKey WCXZZNJRFIRYTO-UHFFFAOYSA-N
Molecular Weight 183.269 g/mol
SMILES SC=1OCC2[C@@]3(CC[C@@](C3)(C2N1)[H])[H]
SPLASH splash10-00lr-9500000000-c0fe5c6fa0dc01e69d65
Source of Spectrum O-25-616-7
Synonyms 5,8-Methano-4H-3,1-benzoxazine-2-thione, 1,2,4a-rel,5-trans,6,7,8-trans,8a-cis-octahydro-
Wiley ID 1179618