| SpectraBase Spectrum ID |
GqX2XjBrcAS |
| Name |
2(3H)-Benzofuranone, 7-chloro-3a,4,7,7a-tetrahydro-, (3a.alpha.,7.alpha.,7a.alpha.)- |
| Alternate Name(s) |
(3aS,7R,7aR)-7-chloro-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one
9-oxa-2-choro-bicyclo[4.3]-3-nonen-8-one |
| CAS Registry Number |
104307-81-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H9ClO2 |
| InChI |
InChI=1S/C8H9ClO2/c9-6-3-1-2-5-4-7(10)11-8(5)6/h1,3,5-6,8H,2,4H2/t5-,6+,8+/m0/s1 |
| InChIKey |
YUWCWWMSMXGDNO-SHYZEUOFSA-N |
| Molecular Weight |
172.611 g/mol |
| SMILES |
[C@@]12(OC(C[C@@]2(CC=C[C@]1(Cl)[H])[H])=O)[H] |
| SPLASH |
splash10-0079-0900000000-f37282f7164dc44c914b |
| Source of Spectrum |
F-41-5769-14 |
| Wiley ID |
1168366 |
